1-(2-chloro-4-fluorophenyl)propan-2-amine

C9H11ClFN — CID 62600100

IUPAC1-(2-chloro-4-fluorophenyl)propan-2-amine
SMILESCC(N)Cc1ccc(F)cc1Cl
InChIInChI=1S/C9H11ClFN/c1-6(12)4-7-2-3-8(11)5-9(7)10/h2-3,5-6H,4,12H2,1H3
InChIKeyQMWCTQOXPDESBA-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.37
Rot. Bonds2

About 1-(2-chloro-4-fluorophenyl)propan-2-amine

1-(2-chloro-4-fluorophenyl)propan-2-amine (PubChem CID 62600100) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)propan-2-amine
PubChem CID62600100
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name1-(2-chloro-4-fluorophenyl)propan-2-amine
SMILESCC(N)Cc1ccc(F)cc1Cl
InChIInChI=1S/C9H11ClFN/c1-6(12)4-7-2-3-8(11)5-9(7)10/h2-3,5-6H,4,12H2,1H3
InChIKeyQMWCTQOXPDESBA-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-4-fluorophenyl)propan-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

1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
2-(2-aminopropyl)-5-fluorophenol
CID 83695312
1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 63890430
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65425532
2-chloro-1-[2-(1-chloroethyl)-3-methylbutyl]-4-fluorobenzene
CID 63472643
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66397357
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine
CID 62603337
1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 63420117
1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 55095442
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)propan-2-amine (CID 62600100) is 1-(2-chloro-4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)propan-2-amine is CC(N)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)propan-2-amine?
The InChIKey is QMWCTQOXPDESBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-6(12)4-7-2-3-8(11)5-9(7)10/h2-3,5-6H,4,12H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)propan-2-amine?
1-(2-chloro-4-fluorophenyl)propan-2-amine has a molecular weight of 187.65 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 62600100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).