3-(2-chlorophenyl)-4-fluorobutan-1-amine

C10H13ClFN — CID 115022437

IUPAC3-(2-chlorophenyl)-4-fluorobutan-1-amine
SMILESNCCC(CF)c1ccccc1Cl
InChIInChI=1S/C10H13ClFN/c11-10-4-2-1-3-9(10)8(7-12)5-6-13/h1-4,8H,5-7,13H2
InChIKeyJIZSBINTALUUBF-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.74
Rot. Bonds4

About 3-(2-chlorophenyl)-4-fluorobutan-1-amine

3-(2-chlorophenyl)-4-fluorobutan-1-amine (PubChem CID 115022437) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-fluorobutan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-fluorobutan-1-amine
PubChem CID115022437
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name3-(2-chlorophenyl)-4-fluorobutan-1-amine
SMILESNCCC(CF)c1ccccc1Cl
InChIInChI=1S/C10H13ClFN/c11-10-4-2-1-3-9(10)8(7-12)5-6-13/h1-4,8H,5-7,13H2
InChIKeyJIZSBINTALUUBF-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-chlorophenyl)-4-fluorobutan-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

3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine
CID 82080937
4-amino-2-(2-chlorophenyl)butanal
CID 134207919
3-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-amine
CID 154175040
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 103041153
2-(2-chlorophenyl)nonan-1-amine
CID 79448666
(3S)-4-amino-3-(2-chlorophenyl)butanal
CID 170430906
3-(2-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 115046614
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine
CID 79448884
3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol
CID 81262700
2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine
CID 83924194
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-fluorobutan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-4-fluorobutan-1-amine (CID 115022437) is 3-(2-chlorophenyl)-4-fluorobutan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-4-fluorobutan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-4-fluorobutan-1-amine is NCCC(CF)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-fluorobutan-1-amine?
The InChIKey is JIZSBINTALUUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c11-10-4-2-1-3-9(10)8(7-12)5-6-13/h1-4,8H,5-7,13H2.
What are the key properties of 3-(2-chlorophenyl)-4-fluorobutan-1-amine?
3-(2-chlorophenyl)-4-fluorobutan-1-amine has a molecular weight of 201.67 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-fluorobutan-1-amine is sourced from PubChem (CID 115022437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).