2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine

C17H27NO2 — CID 106827566

IUPAC2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine
SMILESCOc1ccc(CC(N)C2(C)CCCCC2)cc1OC
InChIInChI=1S/C17H27NO2/c1-17(9-5-4-6-10-17)16(18)12-13-7-8-14(19-2)15(11-13)20-3/h7-8,11,16H,4-6,9-10,12,18H2,1-3H3
InChIKeyQXRWNQOIGQCJTF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.54
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine

2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine (PubChem CID 106827566) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine
PubChem CID106827566
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine
SMILESCOc1ccc(CC(N)C2(C)CCCCC2)cc1OC
InChIInChI=1S/C17H27NO2/c1-17(9-5-4-6-10-17)16(18)12-13-7-8-14(19-2)15(11-13)20-3/h7-8,11,16H,4-6,9-10,12,18H2,1-3H3
InChIKeyQXRWNQOIGQCJTF-UHFFFAOYSA-N
XLogP3.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 60865346
3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine
CID 106830149
2-(3-bromo-4-methoxyphenyl)-1-(1-methylcyclopentyl)ethanol
CID 115779517
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61078294
2-(3-bromo-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115817865
1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119319826
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
4-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1,2-dimethoxybenzene
CID 107183640
1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine
CID 82987406
1-[(3,4-dimethoxyphenyl)methoxymethyl]cyclopentan-1-amine
CID 64572667
1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106826825

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine (CID 106827566) is 2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine is COc1ccc(CC(N)C2(C)CCCCC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine?
The InChIKey is QXRWNQOIGQCJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(9-5-4-6-10-17)16(18)12-13-7-8-14(19-2)15(11-13)20-3/h7-8,11,16H,4-6,9-10,12,18H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine?
2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine is sourced from PubChem (CID 106827566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).