1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine

C16H23ClFN — CID 107450124

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(N)(Cc2ccc(Cl)cc2F)C1
InChIInChI=1S/C16H23ClFN/c1-11(2)12-4-3-7-16(19,9-12)10-13-5-6-14(17)8-15(13)18/h5-6,8,11-12H,3-4,7,9-10,19H2,1-2H3
InChIKeySIXUHUSOAVNVGW-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.57
Rot. Bonds3

About 1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine

1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107450124) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
PubChem CID107450124
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(N)(Cc2ccc(Cl)cc2F)C1
InChIInChI=1S/C16H23ClFN/c1-11(2)12-4-3-7-16(19,9-12)10-13-5-6-14(17)8-15(13)18/h5-6,8,11-12H,3-4,7,9-10,19H2,1-2H3
InChIKeySIXUHUSOAVNVGW-UHFFFAOYSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-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-bromo-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107450204
1-[(2,5-dichlorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65316535
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407
1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114853406
1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449760
1-[(2,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449843
1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107450061
4-[(4-chloro-2-fluorophenyl)methyl]oxepan-4-amine
CID 114853535
1-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086513
1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63411451
1-[(2,4-difluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080003

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine (CID 107450124) is 1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCC(N)(Cc2ccc(Cl)cc2F)C1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is SIXUHUSOAVNVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-11(2)12-4-3-7-16(19,9-12)10-13-5-6-14(17)8-15(13)18/h5-6,8,11-12H,3-4,7,9-10,19H2,1-2H3.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107450124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).