[ (4-Chlorophenyl) methyl] (pentyl) amine

CAT: 0926-BJB26951-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-BJB26951-01Size:0.5 g

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CAS Number

851269-51-7

MDL Number

MFCD04572137

Smiles

CCCCCNCC1=CC=C (C=C1) Cl

Molecular Formula

C12H18ClN

Molecular Weight

211.73 g/mol

Controlled

Chemical Information

4-Chloro-N-pentylbenzenemethanamine

CAS Number	851269-51-7
PubChem CID	2466110
IUPAC Name	N-[(4-chlorophenyl)methyl]pentan-1-amine
Molecular Formula	C12H18ClN
Molecular Weight	211.73
XLogP	3.7
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Heavy Atom Count	14
Formal Charge	0
Complexity	130

SMILES

CCCCCNCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H18ClN/c1-2-3-4-9-14-10-11-5-7-12(13)8-6-11/h5-8,14H,2-4,9-10H2,1H3

InChIKey

RYXSGPZPYZUXCN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 851269-51-7

CID: 2466110

Formula: C12H18ClN

MW: 211.73

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.73
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	211.1127773
Monoisotopic Mass	211.1127773
Topological Polar Surface Area	12 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	130
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
XIB74411-01	[ (4-Fluorophenyl) methyl] (pentyl) amine
GWB26240-01	[ (4-Chlorophenyl) (cyclopentyl) methyl] (methyl) amine
DWB55129-01	[ (4-Chlorophenyl) (cyclopropyl) methyl] (methyl) amine
GWB26529-01	[ (4-Chlorophenyl) (4-fluorophenyl) methyl] (methyl) amine
ECA61516	[ (4-Chlorophenyl) methyl] (methoxy) amine
BFC37413-01	[ (4-Bromophenyl) (4-chlorophenyl) methyl] (methyl) amine hydrochloride
EWB31180-01	[ (4-Chlorophenyl) (pyridin-4-yl) methyl] (methyl) amine
QDC04951-01	[ (4-Chlorophenyl) (oxan-4-yl) methyl] (methyl) amine
HWB72001-01	[ (4-Bromo-2-chlorophenyl) methyl] (methyl) amine
DDA47144	1-[ (4-Chlorophenyl) methyl]piperidin-4-amine

Catalog	Name
OR1038646	[ (4-Chlorophenyl) methyl] (methoxy) amine
AR-O00999-01	4-methyl-pentyl Orlistat
sc-329061	N- (2-Chlorophenyl) -N-{2-[4- (tert-pentyl) phenoxy]-ethyl}amine
CS-O-42419	[ (2-chlorophenyl) methyl] ((methyl-d3) ) amine
sc-267641	4-Methyl-4'-pentyl-biphenyl
sc-346780	[ (3-chlorophenyl) methyl] (ethyl) amine
OR956970	Butyl[ (2-chlorophenyl) methyl]amine
OR306268	1- (4-Chlorophenyl) -4-methyl-1H-pyrazol-5-amine
sc-288733	{[3- (4-chlorophenyl) isoxazol-5-yl]methyl}amine
sc-470251	4-Methyl-2-pentyl Acetate