1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine

C15H21ClFN — CID 114012589

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(N)(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H21ClFN/c1-10-5-11(2)8-15(18,7-10)9-12-3-4-13(16)14(17)6-12/h3-4,6,10-11H,5,7-9,18H2,1-2H3
InChIKeyJAPRHCYXHGVEAC-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.18
Rot. Bonds2

About 1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine

1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 114012589) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID114012589
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(N)(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H21ClFN/c1-10-5-11(2)8-15(18,7-10)9-12-3-4-13(16)14(17)6-12/h3-4,6,10-11H,5,7-9,18H2,1-2H3
InChIKeyJAPRHCYXHGVEAC-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chloro-3-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 114012591
1-[(4-chloro-3-fluorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 107883803
1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 103047881
1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 114012587
1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64753224
2-[(4-chloro-3-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 107883808
1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64751651
3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 107889770
1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 79702457
1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
CID 114013906
[1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclopentyl]methanamine
CID 107898531
1-[(4-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64516003

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine (CID 114012589) is 1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(N)(Cc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is JAPRHCYXHGVEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-10-5-11(2)8-15(18,7-10)9-12-3-4-13(16)14(17)6-12/h3-4,6,10-11H,5,7-9,18H2,1-2H3.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.18, 2 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]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 114012589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).