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

C18H29NO2 — CID 64739847

IUPAC2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
SMILESCOc1ccc(CC(N)C2CCC(C)C(C)C2)cc1OC
InChIInChI=1S/C18H29NO2/c1-12-5-7-15(9-13(12)2)16(19)10-14-6-8-17(20-3)18(11-14)21-4/h6,8,11-13,15-16H,5,7,9-10,19H2,1-4H3
InChIKeyNFBZWNNEAXBJLY-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.65
Rot. Bonds5

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

2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine (PubChem CID 64739847) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
PubChem CID64739847
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
SMILESCOc1ccc(CC(N)C2CCC(C)C(C)C2)cc1OC
InChIInChI=1S/C18H29NO2/c1-12-5-7-15(9-13(12)2)16(19)10-14-6-8-17(20-3)18(11-14)21-4/h6,8,11-13,15-16H,5,7,9-10,19H2,1-4H3
InChIKeyNFBZWNNEAXBJLY-UHFFFAOYSA-N
XLogP3.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61078294
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 60865346
(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64739837
2-(3,4-dichlorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 64739450
1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
CID 64738457
1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine
CID 64738041
(1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine
CID 125466518
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
CID 64986507
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65413547
4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene
CID 63017232
4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene
CID 107183641

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine (CID 64739847) is 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine is COc1ccc(CC(N)C2CCC(C)C(C)C2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine?
The InChIKey is NFBZWNNEAXBJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12-5-7-15(9-13(12)2)16(19)10-14-6-8-17(20-3)18(11-14)21-4/h6,8,11-13,15-16H,5,7,9-10,19H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine?
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.65, 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-(3,4-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 64739847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).