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

C17H27N — CID 64751651

IUPAC1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCCc1ccc(CC2(N)CC(C)CC(C)C2)cc1
InChIInChI=1S/C17H27N/c1-4-15-5-7-16(8-6-15)12-17(18)10-13(2)9-14(3)11-17/h5-8,13-14H,4,9-12,18H2,1-3H3
InChIKeyPMHZUCLQOXNMCC-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.95
Rot. Bonds3

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

1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64751651) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64751651
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCCc1ccc(CC2(N)CC(C)CC(C)C2)cc1
InChIInChI=1S/C17H27N/c1-4-15-5-7-16(8-6-15)12-17(18)10-13(2)9-14(3)11-17/h5-8,13-14H,4,9-12,18H2,1-3H3
InChIKeyPMHZUCLQOXNMCC-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine (CID 64751651) is 1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine is CCc1ccc(CC2(N)CC(C)CC(C)C2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is PMHZUCLQOXNMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-15-5-7-16(8-6-15)12-17(18)10-13(2)9-14(3)11-17/h5-8,13-14H,4,9-12,18H2,1-3H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64751651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).