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

C16H25NO2 — CID 60865346

IUPAC1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)C2CCCCC2)cc1OC
InChIInChI=1S/C16H25NO2/c1-18-15-9-8-12(11-16(15)19-2)10-14(17)13-6-4-3-5-7-13/h8-9,11,13-14H,3-7,10,17H2,1-2H3
InChIKeyNDGPSAXWEIFBKZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.15
Rot. Bonds5

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

1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine (PubChem CID 60865346) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine
PubChem CID60865346
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)C2CCCCC2)cc1OC
InChIInChI=1S/C16H25NO2/c1-18-15-9-8-12(11-16(15)19-2)10-14(17)13-6-4-3-5-7-13/h8-9,11,13-14H,3-7,10,17H2,1-2H3
InChIKeyNDGPSAXWEIFBKZ-UHFFFAOYSA-N
XLogP3.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856
(1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine
CID 125466518
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
CID 64986507
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 64739847
4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene
CID 63017232
2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61078294
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088
2-(3-bromo-4-methoxyphenyl)-1-(oxan-4-yl)ethanamine
CID 65334383
N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 119590262
2-(3,4-dimethoxyphenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827566
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318
3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine
CID 113390105

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine?
The IUPAC name of 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine (CID 60865346) is 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine?
The canonical SMILES for 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine is COc1ccc(CC(N)C2CCCCC2)cc1OC.
What is the InChIKey of 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine?
The InChIKey is NDGPSAXWEIFBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-18-15-9-8-12(11-16(15)19-2)10-14(17)13-6-4-3-5-7-13/h8-9,11,13-14H,3-7,10,17H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine?
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 60865346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).