(2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine

C10H13ClFN — CID 130650457

IUPAC(2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine
SMILESC[C@H](N)CCc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H13ClFN/c1-7(13)2-3-8-4-9(11)6-10(12)5-8/h4-7H,2-3,13H2,1H3/t7-/m0/s1
InChIKeyVTJPEYDRWHMDTR-ZETCQYMHSA-N
MW201.67 g/mol
LogP2.76
Rot. Bonds3

About (2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine

(2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine (PubChem CID 130650457) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is (2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name(2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine
PubChem CID130650457
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name(2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine
SMILESC[C@H](N)CCc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H13ClFN/c1-7(13)2-3-8-4-9(11)6-10(12)5-8/h4-7H,2-3,13H2,1H3/t7-/m0/s1
InChIKeyVTJPEYDRWHMDTR-ZETCQYMHSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-4-(3-chloro-5-fluorophenyl)butan-2-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

(2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine
CID 131289439
(2S)-4-(3-chloro-5-methylphenyl)butan-2-amine
CID 130649433
O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine
CID 117281688
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
4-(3-chloro-5-fluorophenyl)butan-1-amine
CID 114454855
4-(3-chloro-5-fluorophenyl)-N-propan-2-ylbutan-1-amine
CID 114454859
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115
(2S)-4-(3,5-dibromophenyl)butan-2-amine
CID 130719784
4-[4-(4-chlorophenyl)phenyl]butan-2-amine
CID 82541976
(1S)-1-(3-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171224175
1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine
CID 79701954
1-chloro-3-(2-ethylpentyl)-5-fluorobenzene
CID 134350975

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine?
The IUPAC name of (2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine (CID 130650457) is (2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine.
What is the SMILES notation for (2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine?
The canonical SMILES for (2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine is C[C@H](N)CCc1cc(F)cc(Cl)c1.
What is the InChIKey of (2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine?
The InChIKey is VTJPEYDRWHMDTR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-7(13)2-3-8-4-9(11)6-10(12)5-8/h4-7H,2-3,13H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine?
(2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine has a molecular weight of 201.67 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-chloro-5-fluorophenyl)butan-2-amine is sourced from PubChem (CID 130650457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).