(1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine

C16H25NO2 — CID 81385952

IUPAC(1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(CN[C@@H](C)C2CCCC2)cc(OC)c1
InChIInChI=1S/C16H25NO2/c1-12(14-6-4-5-7-14)17-11-13-8-15(18-2)10-16(9-13)19-3/h8-10,12,14,17H,4-7,11H2,1-3H3/t12-/m0/s1
InChIKeyXSBXXCKAWCXDJR-LBPRGKRZSA-N
MW263.38 g/mol
LogP3.37
Rot. Bonds6

About (1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine

(1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine (PubChem CID 81385952) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
PubChem CID81385952
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(CN[C@@H](C)C2CCCC2)cc(OC)c1
InChIInChI=1S/C16H25NO2/c1-12(14-6-4-5-7-14)17-11-13-8-15(18-2)10-16(9-13)19-3/h8-10,12,14,17H,4-7,11H2,1-3H3/t12-/m0/s1
InChIKeyXSBXXCKAWCXDJR-LBPRGKRZSA-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

(1R)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 81395158
(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-dimethylphenyl)methyl]ethanamine
CID 81395487
(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81386110
2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol
CID 81394414
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81394417
(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 105403256
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 63478348
1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 63476778

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine (CID 81385952) is (1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine is COc1cc(CN[C@@H](C)C2CCCC2)cc(OC)c1.
What is the InChIKey of (1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine?
The InChIKey is XSBXXCKAWCXDJR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(14-6-4-5-7-14)17-11-13-8-15(18-2)10-16(9-13)19-3/h8-10,12,14,17H,4-7,11H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine?
(1S)-1-cyclopentyl-N-[(3,5-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 (1S)-1-cyclopentyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81385952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).