2- (3-Bromophenyl) pentan-3-amine

CAT: 0926-GJC85680-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-GJC85680-01Size:50 mg

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CAS Number

1481856-80-7

MDL Number

MFCD21842884

Smiles

CCC (C (C) C1=CC (=CC=C1) Br) N

Molecular Formula

C11H16BrN

Molecular Weight

242.16 g/mol

Controlled

Chemical Information

2-(3-Bromophenyl)pentan-3-amine

CAS Number	1481856-80-7
PubChem CID	79307763
IUPAC Name	2-(3-bromophenyl)pentan-3-amine
Molecular Formula	C11H16BrN
Molecular Weight	242.16
XLogP	3.2
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	149

SMILES

CCC(C(C)C1=CC(=CC=C1)Br)N

InChI

InChI=1S/C11H16BrN/c1-3-11(13)8(2)9-5-4-6-10(12)7-9/h4-8,11H,3,13H2,1-2H3

InChIKey

LQEIVMHVBVFBAO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1481856-80-7

CID: 79307763

Formula: C11H16BrN

MW: 242.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.16
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	241.04661
Monoisotopic Mass	241.04661
Topological Polar Surface Area	26 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	149
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
WZC25183-01	[2- (4-Bromophenyl) ethyl] (pentan-3-yl) amine
TKC92751-01	2- (3-Bromophenyl) pentan-3-one
ZZC74194-01	[2- (4-Bromophenyl) ethyl] (pentan-2-yl) amine
UQB51865-01	(Pentan-2-yl) (pentyl) amine
UQB57904-01	(2-Methylpropyl) (pentan-3-yl) amine
EFA39414-01	(2-Aminoethyl) (pentan-3-yl) amine
ZTB65355-01	1- (4-Bromophenyl) pentan-3-one
GMB43020-01	5- (3-Bromophenyl) pentan-1-ol
ZZB54605-01	2- (3-Bromophenyl) hexan-2-amine
YUA58124-01	3- (Trifluoromethyl) pentan-3-amine hydrochloride

Catalog	Name
TN9311-01	Pentan-3-amine
OR1099989-01	3- (3-bromophenyl) pentan-3-ol
OR1094189-01	3- (4-bromophenyl) pentan-3-ol
HY-W087960S-01	Pentan-3-amine-d5
PC1002596-01	3- (Trifluoromethyl) pentan-3-amine hydrochloride
OR312432-01	3- (4-Bromophenyl) bicyclo[1.1.1]pentan-1-amine
OR1084747-01	1- (3-bromophenyl) pentan-1-ol
OR1048330-01	1- (4-Bromophenyl) pentan-3-one
sc-337881	Isopropyl-pentan-3-yl-amine
OR1022275	Methyl (pentan-3-yl) amine hydrochloride