(1S)-1-(3-fluorophenyl)butan-1-amine

C10H14FN — CID 78961002

IUPAC(1S)-1-(3-fluorophenyl)butan-1-amine
SMILESCCC[C@H](N)c1cccc(F)c1
InChIInChI=1S/C10H14FN/c1-2-4-10(12)8-5-3-6-9(11)7-8/h3,5-7,10H,2,4,12H2,1H3/t10-/m0/s1
InChIKeyYVAAOXFAYOJLEF-JTQLQIEISA-N
MW167.23 g/mol
LogP2.63
Rot. Bonds3

About (1S)-1-(3-fluorophenyl)butan-1-amine

(1S)-1-(3-fluorophenyl)butan-1-amine (PubChem CID 78961002) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)butan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)butan-1-amine
PubChem CID78961002
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(1S)-1-(3-fluorophenyl)butan-1-amine
SMILESCCC[C@H](N)c1cccc(F)c1
InChIInChI=1S/C10H14FN/c1-2-4-10(12)8-5-3-6-9(11)7-8/h3,5-7,10H,2,4,12H2,1H3/t10-/m0/s1
InChIKeyYVAAOXFAYOJLEF-JTQLQIEISA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(3-fluorophenyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
1-(3-fluorophenyl)-4-methoxypentan-1-amine
CID 105092989
N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62645505
(1R)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199148
(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171218667
1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501
N'-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699655
1-(3-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 105092976
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)butan-1-amine?
The IUPAC name of (1S)-1-(3-fluorophenyl)butan-1-amine (CID 78961002) is (1S)-1-(3-fluorophenyl)butan-1-amine.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)butan-1-amine?
The canonical SMILES for (1S)-1-(3-fluorophenyl)butan-1-amine is CCC[C@H](N)c1cccc(F)c1.
What is the InChIKey of (1S)-1-(3-fluorophenyl)butan-1-amine?
The InChIKey is YVAAOXFAYOJLEF-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14FN/c1-2-4-10(12)8-5-3-6-9(11)7-8/h3,5-7,10H,2,4,12H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)butan-1-amine?
(1S)-1-(3-fluorophenyl)butan-1-amine has a molecular weight of 167.23 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)butan-1-amine is sourced from PubChem (CID 78961002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).