N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine

C20H33N — CID 81034592

IUPACN-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCc1ccc(C2CC(C)CCC2CNC(C)(C)C)cc1
InChIInChI=1S/C20H33N/c1-6-16-8-11-17(12-9-16)19-13-15(2)7-10-18(19)14-21-20(3,4)5/h8-9,11-12,15,18-19,21H,6-7,10,13-14H2,1-5H3
InChIKeyFQNHOADQPGBEMV-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.16
Rot. Bonds4

About N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine

N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81034592) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81034592
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCc1ccc(C2CC(C)CCC2CNC(C)(C)C)cc1
InChIInChI=1S/C20H33N/c1-6-16-8-11-17(12-9-16)19-13-15(2)7-10-18(19)14-21-20(3,4)5/h8-9,11-12,15,18-19,21H,6-7,10,13-14H2,1-5H3
InChIKeyFQNHOADQPGBEMV-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-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

1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine
CID 81025663
N-[[2-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022912
N-[[2-(4-fluoro-2-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81032659
N-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 107361277
N-[[2-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021961
N-[[2-(2,5-dichlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033499
N-[[2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81034139
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033829
2-methyl-N-[(2-pyridin-4-ylcyclopropyl)methyl]propan-2-amine
CID 62713515
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024853
1-[2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine
CID 81028545
N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81035109

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 81034592) is N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine is CCc1ccc(C2CC(C)CCC2CNC(C)(C)C)cc1.
What is the InChIKey of N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FQNHOADQPGBEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-6-16-8-11-17(12-9-16)19-13-15(2)7-10-18(19)14-21-20(3,4)5/h8-9,11-12,15,18-19,21H,6-7,10,13-14H2,1-5H3.
What are the key properties of N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 287.49 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81034592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).