4-[ (3-Fluorophenyl) methoxy]-2-methylaniline

CAT: 0926-BMB24449-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-BMB24449-01Size:0.5 g

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CAS Number

926244-49-7

MDL Number

MFCD09046328

Smiles

CC1=C (C=CC (=C1) OCC2=CC (=CC=C2) F) N

Molecular Formula

C14H14FNO

Molecular Weight

231.26 g/mol

Controlled

Chemical Information

4-[(3-Fluorophenyl)methoxy]-2-methylaniline

CAS Number	926244-49-7
PubChem CID	16773960
IUPAC Name	4-[(3-fluorophenyl)methoxy]-2-methylaniline
Molecular Formula	C14H14FNO
Molecular Weight	231.26
XLogP	3.2
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	236

SMILES

CC1=C(C=CC(=C1)OCC2=CC(=CC=C2)F)N

InChI

InChI=1S/C14H14FNO/c1-10-7-13(5-6-14(10)16)17-9-11-3-2-4-12(15)8-11/h2-8H,9,16H2,1H3

InChIKey

ACFUFZGWPVCVLK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 926244-49-7

CID: 16773960

Formula: C14H14FNO

MW: 231.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.26
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	231.105942232
Monoisotopic Mass	231.105942232
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	236
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
PBA53868-01	2-Methoxy-4-methylaniline
UQB11000-01	4-[ (3-Chlorophenyl) methoxy]-2-methylaniline
WCA28898	2-Methoxy-4-methylaniline hydrochloride
DWB90475-01	3-[ (3-Chlorophenyl) methoxy]-4-methylaniline
HBC18533-01	3-[ (2-Methoxyphenyl) methoxy]-2-methylaniline
EWB57258-01	3-[ (3-Methoxyphenyl) methoxy]-2-methylaniline
IHB13398-01	5-Bromo-2-methoxy-4-methylaniline
UXA68867-01	5-Chloro-2-methoxy-4-methylaniline
UNA79449-01	2-Chloro-4-methoxy-5-methylaniline
MCA49246	5-Chloro-4-methoxy-2-methylaniline

Catalog	Name
418561-01	2-Methoxy-3-methylaniline
sc-394124	3-Methoxy-2-methylaniline
160630	3-Methoxy-5-methylaniline
TRC-M269523-250MG	4-Methoxy-3-methylaniline
TRC-M332410-500MG	3-Methoxy-4-methylaniline
OR90949-01	3-Methoxy-N-methylaniline
OR1006066	5-Bromo-3-methoxy-2-methylaniline
OR1032879-01	2-Chloro-3-methoxy-6-methylaniline
OR400576	3-Iodo-2-methoxy-5-methylaniline
TRC-M336795-1G	5-Methoxy-2-methylaniline