2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine

C16H25N — CID 81014170

IUPAC2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(c2cc(C)ccc2C)C1
InChIInChI=1S/C16H25N/c1-4-13-7-8-16(17)15(10-13)14-9-11(2)5-6-12(14)3/h5-6,9,13,15-16H,4,7-8,10,17H2,1-3H3
InChIKeyFSXGEILBCSSSTN-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.92
Rot. Bonds2

About 2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine

2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine (PubChem CID 81014170) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine
PubChem CID81014170
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(c2cc(C)ccc2C)C1
InChIInChI=1S/C16H25N/c1-4-13-7-8-16(17)15(10-13)14-9-11(2)5-6-12(14)3/h5-6,9,13,15-16H,4,7-8,10,17H2,1-3H3
InChIKeyFSXGEILBCSSSTN-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine
CID 81015045
N-[[2-(2,5-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81032528
2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55185587
2-(2,5-dimethylphenyl)cyclopentan-1-amine
CID 62605663
2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine
CID 64648048
4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81014823
(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65410620
trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
CID 93299529
4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine
CID 64856159
4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine
CID 55041701
2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine
CID 81014177
4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine
CID 103132423

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine (CID 81014170) is 2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine is CCC1CCC(N)C(c2cc(C)ccc2C)C1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine?
The InChIKey is FSXGEILBCSSSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-13-7-8-16(17)15(10-13)14-9-11(2)5-6-12(14)3/h5-6,9,13,15-16H,4,7-8,10,17H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine?
2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 81014170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).