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

C15H21ClFN — CID 107883803

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(Cc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C15H21ClFN/c1-2-11-5-7-15(18,8-6-11)10-12-3-4-13(16)14(17)9-12/h3-4,9,11H,2,5-8,10,18H2,1H3
InChIKeyVJKMAXCVAWFVJR-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.32
Rot. Bonds3

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

1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine (PubChem CID 107883803) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
PubChem CID107883803
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(Cc2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C15H21ClFN/c1-2-11-5-7-15(18,8-6-11)10-12-3-4-13(16)14(17)9-12/h3-4,9,11H,2,5-8,10,18H2,1H3
InChIKeyVJKMAXCVAWFVJR-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

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Related Compounds

1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 114012587
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 114012591
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 107889008
[1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 107898531
1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 114012589
1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55186388
4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine
CID 65082624
3-ethyl-1-[(4-fluorophenyl)methyl]cyclopentan-1-amine
CID 64516010
2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 107883808
1-[(3,4-difluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 82919808
3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 107889770
3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 114013147

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine (CID 107883803) is 1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine is CCC1CCC(N)(Cc2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine?
The InChIKey is VJKMAXCVAWFVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-11-5-7-15(18,8-6-11)10-12-3-4-13(16)14(17)9-12/h3-4,9,11H,2,5-8,10,18H2,1H3.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine?
1-[(4-chloro-3-fluorophenyl)methyl]-4-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]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 107883803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).