1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine

C18H29NO — CID 81032383

IUPAC1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(Cc2ccccc2OC)C1
InChIInChI=1S/C18H29NO/c1-4-14-9-10-16(13-19-2)17(11-14)12-15-7-5-6-8-18(15)20-3/h5-8,14,16-17,19H,4,9-13H2,1-3H3
InChIKeyVORVTHCKXBRSCL-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.90
Rot. Bonds6

About 1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine

1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine (PubChem CID 81032383) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine
PubChem CID81032383
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(Cc2ccccc2OC)C1
InChIInChI=1S/C18H29NO/c1-4-14-9-10-16(13-19-2)17(11-14)12-15-7-5-6-8-18(15)20-3/h5-8,14,16-17,19H,4,9-13H2,1-3H3
InChIKeyVORVTHCKXBRSCL-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-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-bromo-5-ethylcyclohexyl)methyl]-2-methoxybenzene
CID 63473365
1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine
CID 107311092
N-[[2-[(2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81018226
1-[2-[(2-fluorophenyl)methyl]-4-propylcyclohexyl]-N-methylmethanamine
CID 81029072
N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028833
1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81031325
3-ethyl-N-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64500368
1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 81031850
1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 113447096
1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene
CID 141394597
N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034455
1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029380

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine (CID 81032383) is 1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine is CCC1CCC(CNC)C(Cc2ccccc2OC)C1.
What is the InChIKey of 1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine?
The InChIKey is VORVTHCKXBRSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-14-9-10-16(13-19-2)17(11-14)12-15-7-5-6-8-18(15)20-3/h5-8,14,16-17,19H,4,9-13H2,1-3H3.
What are the key properties of 1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine?
1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81032383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).