1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine

C17H27NO2 — CID 62632992

IUPAC1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(OC)c(C(C)NC(C)C2CCCC2)c1
InChIInChI=1S/C17H27NO2/c1-12(14-7-5-6-8-14)18-13(2)16-11-15(19-3)9-10-17(16)20-4/h9-14,18H,5-8H2,1-4H3
InChIKeyYTFBPQBQFNBSGX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.93
Rot. Bonds6

About 1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine

1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine (PubChem CID 62632992) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine
PubChem CID62632992
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(OC)c(C(C)NC(C)C2CCCC2)c1
InChIInChI=1S/C17H27NO2/c1-12(14-7-5-6-8-14)18-13(2)16-11-15(19-3)9-10-17(16)20-4/h9-14,18H,5-8H2,1-4H3
InChIKeyYTFBPQBQFNBSGX-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine
CID 81391387
2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 70442578
1-cyclopropyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81397213
1-cyclopentyl-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 42928160
1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 115714644
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine
CID 81393845
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527
(1R,2S)-2-amino-1-cyclohexyl-2-(2,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171162374
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43685208
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
(2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol
CID 97232591

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine?
The IUPAC name of 1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine (CID 62632992) is 1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine is COc1ccc(OC)c(C(C)NC(C)C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine?
The InChIKey is YTFBPQBQFNBSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(14-7-5-6-8-14)18-13(2)16-11-15(19-3)9-10-17(16)20-4/h9-14,18H,5-8H2,1-4H3.
What are the key properties of 1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine?
1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 62632992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).