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

C17H27NO2 — CID 81026742

IUPACN-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H27NO2/c1-4-18-12-14-7-5-6-8-15(14)13-9-10-16(19-2)17(11-13)20-3/h9-11,14-15,18H,4-8,12H2,1-3H3
InChIKeyMUGPIVMXOXABIU-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.59
Rot. Bonds6

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

N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine (PubChem CID 81026742) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
PubChem CID81026742
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H27NO2/c1-4-18-12-14-7-5-6-8-15(14)13-9-10-16(19-2)17(11-13)20-3/h9-11,14-15,18H,4-8,12H2,1-3H3
InChIKeyMUGPIVMXOXABIU-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81017506
N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81027759
N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023599
N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027732
N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022910
4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene
CID 118987420
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026728
1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028647
N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine
CID 81026227
N-[[2-(4-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81018235
N-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine
CID 81025575
2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62801123

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine (CID 81026742) is N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine is CCNCC1CCCCC1c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine?
The InChIKey is MUGPIVMXOXABIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-18-12-14-7-5-6-8-15(14)13-9-10-16(19-2)17(11-13)20-3/h9-11,14-15,18H,4-8,12H2,1-3H3.
What are the key properties of N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine?
N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81026742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).