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

C17H26N2O — CID 65320749

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CN2CCCC3CCCC32)c1
InChIInChI=1S/C17H26N2O/c1-20-15-8-2-6-14(11-15)16(18)12-19-10-4-7-13-5-3-9-17(13)19/h2,6,8,11,13,16-17H,3-5,7,9-10,12,18H2,1H3
InChIKeyJONGKCJOALLGSZ-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)-1-(3-methoxyphenyl)ethanamine

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 65320749) 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)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-methoxyphenyl)ethanamine
PubChem CID65320749
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)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CN2CCCC3CCCC32)c1
InChIInChI=1S/C17H26N2O/c1-20-15-8-2-6-14(11-15)16(18)12-19-10-4-7-13-5-3-9-17(13)19/h2,6,8,11,13,16-17H,3-5,7,9-10,12,18H2,1H3
InChIKeyJONGKCJOALLGSZ-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)-1-(3-methoxyphenyl)ethanamine with MolForge

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Related Compounds

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-fluorophenyl)ethanamine
CID 107522123
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 82747780
1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55249009
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine
CID 79938583
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 65320598
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 16788275
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine
CID 55161156
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16786895
1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537738
3-(2-cyclopentylpyrrolidin-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 62617910
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62862003

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-methoxyphenyl)ethanamine (CID 65320749) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(N)CN2CCCC3CCCC32)c1.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is JONGKCJOALLGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-15-8-2-6-14(11-15)16(18)12-19-10-4-7-13-5-3-9-17(13)19/h2,6,8,11,13,16-17H,3-5,7,9-10,12,18H2,1H3.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-methoxyphenyl)ethanamine?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-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)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 65320749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).