(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine

C9H11ClFN — CID 124706908

IUPAC(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine
SMILESCc1cc(Cl)ccc1[C@H](N)CF
InChIInChI=1S/C9H11ClFN/c1-6-4-7(10)2-3-8(6)9(12)5-11/h2-4,9H,5,12H2,1H3/t9-/m1/s1
InChIKeyHNEOILVMJCIHNH-SECBINFHSA-N
MW187.65 g/mol
LogP2.62
Rot. Bonds2

About (1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine

(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine (PubChem CID 124706908) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is (1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine
PubChem CID124706908
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine
SMILESCc1cc(Cl)ccc1[C@H](N)CF
InChIInChI=1S/C9H11ClFN/c1-6-4-7(10)2-3-8(6)9(12)5-11/h2-4,9H,5,12H2,1H3/t9-/m1/s1
InChIKeyHNEOILVMJCIHNH-SECBINFHSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine 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

(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171211834
(1R)-1-(4-chloro-2-methylphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313878
(3S)-3-amino-3-(4-chloro-2-methylphenyl)propan-1-ol
CID 131144923
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(1S)-1-(4-chloro-2-methylphenyl)-2-cyclopropylethanamine
CID 131029260
1-(4-chloro-2-methylphenyl)ethanamine;ethane
CID 143031606
(1S)-1-(4-chloro-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171231441
1-(4-chloro-2-methylphenyl)-5,5-dimethylhex-3-yn-1-amine
CID 114190565
(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
CID 130804178
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 114027936
2-(2,5-dichlorophenyl)-1-(2,4-dimethylphenyl)ethanamine
CID 115862990

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine?
The IUPAC name of (1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine (CID 124706908) is (1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine.
What is the SMILES notation for (1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine?
The canonical SMILES for (1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine is Cc1cc(Cl)ccc1[C@H](N)CF.
What is the InChIKey of (1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine?
The InChIKey is HNEOILVMJCIHNH-SECBINFHSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-6-4-7(10)2-3-8(6)9(12)5-11/h2-4,9H,5,12H2,1H3/t9-/m1/s1.
What are the key properties of (1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine?
(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine has a molecular weight of 187.65 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine is sourced from PubChem (CID 124706908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).