1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine

C16H25N — CID 55186767

IUPAC1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C16H25N/c1-4-14-5-7-16(17,8-6-14)15-10-12(2)9-13(3)11-15/h9-11,14H,4-8,17H2,1-3H3
InChIKeyTUDNLHMDKZUBTL-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.06
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine

1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine (PubChem CID 55186767) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine
PubChem CID55186767
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C16H25N/c1-4-14-5-7-16(17,8-6-14)15-10-12(2)9-13(3)11-15/h9-11,14H,4-8,17H2,1-3H3
InChIKeyTUDNLHMDKZUBTL-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-1-(5-methyl-3-pyridinyl)cyclohexan-1-amine
CID 115373824
4-ethyl-1-naphthalen-2-ylcyclohexan-1-amine
CID 63407775
4-(3,5-dimethylphenyl)oxan-4-amine
CID 23090035
4-ethyl-1-(6-methyl-3-pyridinyl)cycloheptan-1-amine
CID 65084157
4-ethyl-1-naphthalen-2-ylcycloheptan-1-amine
CID 65082731
1-(3,4-dimethylphenyl)-4-propylcyclohexan-1-amine
CID 55187144
4-ethyl-1-quinolin-3-ylcyclohexan-1-amine
CID 54861249
4-ethyl-1-quinolin-6-ylcyclohexan-1-amine
CID 81216009
1-(3,4-dichlorophenyl)-3-ethylcyclopentan-1-amine
CID 64514572
1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine
CID 62802100
1-(2-chloro-5-fluorophenyl)-4-ethylcyclohexan-1-amine
CID 105394086
4-ethyl-1-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353339

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine (CID 55186767) is 1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine is CCC1CCC(N)(c2cc(C)cc(C)c2)CC1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine?
The InChIKey is TUDNLHMDKZUBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-14-5-7-16(17,8-6-14)15-10-12(2)9-13(3)11-15/h9-11,14H,4-8,17H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine?
1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 55186767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).