1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine

C18H29N — CID 65391828

IUPAC1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)C1CCC(C)(C)CC1
InChIInChI=1S/C18H29N/c1-4-19-17(14-15-8-6-5-7-9-15)16-10-12-18(2,3)13-11-16/h5-9,16-17,19H,4,10-14H2,1-3H3
InChIKeyLTKGADFQGCTLTB-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.42
Rot. Bonds5

About 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine

1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine (PubChem CID 65391828) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine
PubChem CID65391828
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)C1CCC(C)(C)CC1
InChIInChI=1S/C18H29N/c1-4-19-17(14-15-8-6-5-7-9-15)16-10-12-18(2,3)13-11-16/h5-9,16-17,19H,4,10-14H2,1-3H3
InChIKeyLTKGADFQGCTLTB-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine 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

1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 65479391
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 65389654
N-ethyl-1-(3-ethylcyclopentyl)-2-phenylethanamine
CID 65412003
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65392430
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347992
2-(2,5-difluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65390250
N-[1-(4,4-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 65391253
N-ethyl-2-(4-ethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415397
2-(5-chloro-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 103048770
1-cyclopropyl-N-ethyl-2-pyridin-4-ylethanamine
CID 63355352
N-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine
CID 115706886
2-cyclopropyl-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391637

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine (CID 65391828) is 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine is CCNC(Cc1ccccc1)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine?
The InChIKey is LTKGADFQGCTLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-19-17(14-15-8-6-5-7-9-15)16-10-12-18(2,3)13-11-16/h5-9,16-17,19H,4,10-14H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine?
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 65391828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).