(1S) -1- (2-Fluorophenyl) -N-methylethylamine

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CAS Number

1212064-81-7

Synonyms

(1S) -N-[1- (2-Fluorophenyl) ethyl]methylamine

MDL Number

MFCD07779096

Purity

=95%

Smiles

CN[C@@H](C)c1ccccc1F

Chemical Information

(S)-N-[1-(2-Fluorophenyl)ethyl]methylamine

CAS Number	1212064-81-7
PubChem CID	40787007
IUPAC Name	(1S)-1-(2-fluorophenyl)-N-methylethanamine
Molecular Formula	C9H12FN
Molecular Weight	153.20
XLogP	1.8
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	116

SMILES

C[C@@H](C1=CC=CC=C1F)NC

InChI

InChI=1S/C9H12FN/c1-7(11-2)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3/t7-/m0/s1

InChIKey

QEHQNPXQYYTODW-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 1212064-81-7

CID: 40787007

Formula: C9H12FN

MW: 153.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.20
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	153.095377549
Monoisotopic Mass	153.095377549
Topological Polar Surface Area	12 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	116
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
PC7545	(1S) -1- (4-Fluorophenyl) -N-methylethylamine
PC5854-01	(1S) -1- (3-Fluorophenyl) -N-methylethylamine
PC1386	(1R) -1- (2-Fluorophenyl) -N-methylethylamine
OR30799	(1S) -1- (4-Methoxyphenyl) -N-methylethylamine
PC2461	(1R) -1- (4-Fluorophenyl) -N-methylethylamine
PC1561-01	(1R) -1- (3-Fluorophenyl) -N-methylethylamine
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OR30626-01	N-Methylethylamine
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