1-[(4-ethylphenyl)methyl]-2,3-dimethylcyclohexan-1-amine

C17H27N — CID 64775391

IUPAC1-[(4-ethylphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCCc1ccc(CC2(N)CCCC(C)C2C)cc1
InChIInChI=1S/C17H27N/c1-4-15-7-9-16(10-8-15)12-17(18)11-5-6-13(2)14(17)3/h7-10,13-14H,4-6,11-12,18H2,1-3H3
InChIKeyXQPVEFVLTNWFLY-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.95
Rot. Bonds3

About 1-[(4-ethylphenyl)methyl]-2,3-dimethylcyclohexan-1-amine

1-[(4-ethylphenyl)methyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 64775391) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID64775391
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-[(4-ethylphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCCc1ccc(CC2(N)CCCC(C)C2C)cc1
InChIInChI=1S/C17H27N/c1-4-15-7-9-16(10-8-15)12-17(18)11-5-6-13(2)14(17)3/h7-10,13-14H,4-6,11-12,18H2,1-3H3
InChIKeyXQPVEFVLTNWFLY-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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Related Compounds

2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 63408085
1-[(3-bromothiophen-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64773953
1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64774562
2,3-dimethyl-1-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 64774556
7-(4-ethylphenyl)bicyclo[4.1.0]heptan-7-amine
CID 79330572
1-[(4-tert-butylphenyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 65154331
1-benzyl-2,3-dimethylcyclohexan-1-ol
CID 64754174
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 79819712
2,3-dimethyl-1-(3-methylbutyl)cyclohexan-1-amine
CID 64773954
1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64751651
2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 65153585
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 62619930

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-2,3-dimethylcyclohexan-1-amine (CID 64775391) is 1-[(4-ethylphenyl)methyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-2,3-dimethylcyclohexan-1-amine is CCc1ccc(CC2(N)CCCC(C)C2C)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is XQPVEFVLTNWFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-15-7-9-16(10-8-15)12-17(18)11-5-6-13(2)14(17)3/h7-10,13-14H,4-6,11-12,18H2,1-3H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
1-[(4-ethylphenyl)methyl]-2,3-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]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64775391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).