N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine

C18H29NO2 — CID 81033287

IUPACN-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H29NO2/c1-5-19-12-14-7-6-13(2)8-18(14)15-9-16(20-3)11-17(10-15)21-4/h9-11,13-14,18-19H,5-8,12H2,1-4H3
InChIKeyXLYROKSIWOAVSU-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.83
Rot. Bonds6

About N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine

N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine (PubChem CID 81033287) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
PubChem CID81033287
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H29NO2/c1-5-19-12-14-7-6-13(2)8-18(14)15-9-16(20-3)11-17(10-15)21-4/h9-11,13-14,18-19H,5-8,12H2,1-4H3
InChIKeyXLYROKSIWOAVSU-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81018235
N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81032180
N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine
CID 81032019
N-[[4-ethyl-2-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81035640
N-[[2-(3,5-difluorophenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 81031514
N-[[4-methyl-2-(6-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 81031650
N-[[2-(2-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81031795
N-[[2-(2-fluoro-4,6-dimethylphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 106882904
N-[[2-(1-benzofuran-2-yl)-4-methylcyclohexyl]methyl]ethanamine
CID 114735847
N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81017506
N-[(4-methyl-2-quinolin-5-ylcyclohexyl)methyl]ethanamine
CID 81228450
N-[[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 82772303

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine (CID 81033287) is N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine is CCNCC1CCC(C)CC1c1cc(OC)cc(OC)c1.
What is the InChIKey of N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine?
The InChIKey is XLYROKSIWOAVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-19-12-14-7-6-13(2)8-18(14)15-9-16(20-3)11-17(10-15)21-4/h9-11,13-14,18-19H,5-8,12H2,1-4H3.
What are the key properties of N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine?
N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81033287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).