1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine

C15H21ClFN — CID 114012587

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(N)(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H21ClFN/c1-2-11-4-3-7-15(18,9-11)10-12-5-6-13(16)14(17)8-12/h5-6,8,11H,2-4,7,9-10,18H2,1H3
InChIKeyGQPBFOYXMOTQBQ-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.32
Rot. Bonds3

About 1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine

1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine (PubChem CID 114012587) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine
PubChem CID114012587
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(N)(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H21ClFN/c1-2-11-4-3-7-15(18,9-11)10-12-5-6-13(16)14(17)8-12/h5-6,8,11H,2-4,7,9-10,18H2,1H3
InChIKeyGQPBFOYXMOTQBQ-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-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-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 107883803
[1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 107898531
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 114012591
3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine
CID 64516010
1-[(3,4-difluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 82919808
4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine
CID 65082624
1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 114012589
3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 114013147
1-[(3,5-difluorophenyl)methyl]-3-ethylcyclopentan-1-amine
CID 105403034
3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine
CID 65422470
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 107889008
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086350

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine (CID 114012587) is 1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine is CCC1CCCC(N)(Cc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine?
The InChIKey is GQPBFOYXMOTQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-11-4-3-7-15(18,9-11)10-12-5-6-13(16)14(17)8-12/h5-6,8,11H,2-4,7,9-10,18H2,1H3.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine?
1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 114012587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).