1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine

C18H29NO — CID 81030403

IUPAC1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
SMILESCCOc1cccc(C2CC(C)(C)CCC2CNC)c1
InChIInChI=1S/C18H29NO/c1-5-20-16-8-6-7-14(11-16)17-12-18(2,3)10-9-15(17)13-19-4/h6-8,11,15,17,19H,5,9-10,12-13H2,1-4H3
InChIKeyFOXGARYBEVBGLW-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.21
Rot. Bonds5

About 1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine

1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine (PubChem CID 81030403) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
PubChem CID81030403
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
SMILESCCOc1cccc(C2CC(C)(C)CCC2CNC)c1
InChIInChI=1S/C18H29NO/c1-5-20-16-8-6-7-14(11-16)17-12-18(2,3)10-9-15(17)13-19-4/h6-8,11,15,17,19H,5,9-10,12-13H2,1-4H3
InChIKeyFOXGARYBEVBGLW-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine 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-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114523600
1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine
CID 81031001
N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 81022966
N-methyl-1-[2-(3-propoxyphenyl)cyclopropyl]methanamine
CID 62704932
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81021879
1-[3-(3-ethoxyphenyl)-2,2-dimethylcyclopropyl]-N-methylmethanamine
CID 114229412
1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine
CID 81021877
N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032583
N-[[2-(3-chlorophenyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
CID 81030568
1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine
CID 81030852
1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine
CID 81021876
N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81027960

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine (CID 81030403) is 1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine is CCOc1cccc(C2CC(C)(C)CCC2CNC)c1.
What is the InChIKey of 1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The InChIKey is FOXGARYBEVBGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-20-16-8-6-7-14(11-16)17-12-18(2,3)10-9-15(17)13-19-4/h6-8,11,15,17,19H,5,9-10,12-13H2,1-4H3.
What are the key properties of 1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine?
1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81030403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).