2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine

C17H26N2O — CID 65319110

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCCC3CCCC32)cc1
InChIInChI=1S/C17H26N2O/c1-20-15-9-7-14(8-10-15)17(12-18)19-11-3-5-13-4-2-6-16(13)19/h7-10,13,16-17H,2-6,11-12,18H2,1H3
InChIKeyZQKCBGXDVIXKCI-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.96
Rot. Bonds4

About 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 65319110) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine
PubChem CID65319110
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(CN)N2CCCC3CCCC32)cc1
InChIInChI=1S/C17H26N2O/c1-20-15-9-7-14(8-10-15)17(12-18)19-11-3-5-13-4-2-6-16(13)19/h7-10,13,16-17H,2-6,11-12,18H2,1H3
InChIKeyZQKCBGXDVIXKCI-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-bromophenyl)ethanamine
CID 65319165
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65319130
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(3,5-difluorophenyl)ethanamine
CID 106528687
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,4-difluorophenyl)ethanamine
CID 43628049
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-bromo-3-methylphenyl)ethanamine
CID 66474433
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 82752173
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 103569643
2-(3-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 43584268
[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170
2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 65283416
2-(3,4-dimethoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882022
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-difluorophenyl)ethanamine
CID 65319085

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine (CID 65319110) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(C(CN)N2CCCC3CCCC32)cc1.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is ZQKCBGXDVIXKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-15-9-7-14(8-10-15)17(12-18)19-11-3-5-13-4-2-6-16(13)19/h7-10,13,16-17H,2-6,11-12,18H2,1H3.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 274.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 65319110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).