1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine

C16H25NO2 — CID 62633318

IUPAC1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)C2CCCC2)cc1OC
InChIInChI=1S/C16H25NO2/c1-12(14-6-4-5-7-14)17-11-13-8-9-15(18-2)16(10-13)19-3/h8-10,12,14,17H,4-7,11H2,1-3H3
InChIKeyUAASSOJMDWKFFB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.37
Rot. Bonds6

About 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine

1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine (PubChem CID 62633318) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
PubChem CID62633318
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)C2CCCC2)cc1OC
InChIInChI=1S/C16H25NO2/c1-12(14-6-4-5-7-14)17-11-13-8-9-15(18-2)16(10-13)19-3/h8-10,12,14,17H,4-7,11H2,1-3H3
InChIKeyUAASSOJMDWKFFB-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
CID 81396225
1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43400202
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-cycloheptylethanamine
CID 81391440
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
CID 81391316
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxybenzonitrile
CID 81396043
4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile
CID 106787528
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359
(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81390552
(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81387045
(1R)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81392096
(1R)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81395158

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine (CID 62633318) is 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine is COc1ccc(CNC(C)C2CCCC2)cc1OC.
What is the InChIKey of 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine?
The InChIKey is UAASSOJMDWKFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(14-6-4-5-7-14)17-11-13-8-9-15(18-2)16(10-13)19-3/h8-10,12,14,17H,4-7,11H2,1-3H3.
What are the key properties of 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine?
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 62633318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).