N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine

C17H27NO2 — CID 81027759

IUPACN-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1c1cc(OC)ccc1OC
InChIInChI=1S/C17H27NO2/c1-4-18-12-13-7-5-6-8-15(13)16-11-14(19-2)9-10-17(16)20-3/h9-11,13,15,18H,4-8,12H2,1-3H3
InChIKeyCHMADKABIQRPOD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.59
Rot. Bonds6

About N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine

N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine (PubChem CID 81027759) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
PubChem CID81027759
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1c1cc(OC)ccc1OC
InChIInChI=1S/C17H27NO2/c1-4-18-12-13-7-5-6-8-15(13)16-11-14(19-2)9-10-17(16)20-3/h9-11,13,15,18H,4-8,12H2,1-3H3
InChIKeyCHMADKABIQRPOD-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-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 81033055
N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81033094
N-[[2-(2,5-dimethoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 79365268
N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026742
2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid
CID 66652406
N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81023713
trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol
CID 6994758
1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558417
1-[2-(4-methoxy-2-methylphenyl)cyclohexyl]-N-methylmethanamine
CID 81027952
N-[[2-(5-chloro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]ethanamine
CID 81032180
N-[[2-(4-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81018235
3-(2,5-dimethoxyphenyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 64907254

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine (CID 81027759) is N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine is CCNCC1CCCCC1c1cc(OC)ccc1OC.
What is the InChIKey of N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine?
The InChIKey is CHMADKABIQRPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-18-12-13-7-5-6-8-15(13)16-11-14(19-2)9-10-17(16)20-3/h9-11,13,15,18H,4-8,12H2,1-3H3.
What are the key properties of N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine?
N-[[2-(2,5-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-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81027759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).