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

C18H28N2O — CID 65320598

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)CN1CCCC2CCCC21
InChIInChI=1S/C18H28N2O/c1-13-8-9-18(21-2)15(11-13)16(19)12-20-10-4-6-14-5-3-7-17(14)20/h8-9,11,14,16-17H,3-7,10,12,19H2,1-2H3
InChIKeyANCHCTVSWUAKQI-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.27
Rot. Bonds4

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

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 65320598) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID65320598
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)CN1CCCC2CCCC21
InChIInChI=1S/C18H28N2O/c1-13-8-9-18(21-2)15(11-13)16(19)12-20-10-4-6-14-5-3-7-17(14)20/h8-9,11,14,16-17H,3-7,10,12,19H2,1-2H3
InChIKeyANCHCTVSWUAKQI-UHFFFAOYSA-N
XLogP3.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43266464
2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200897
2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200551
1-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178956
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(2,5-difluorophenyl)ethanamine
CID 107522127
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
1-(2,4-dimethylphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54882552
1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 60872721
1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine
CID 82214719
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2,6-dimethylpiperidine
CID 82214723
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 82747780

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine (CID 65320598) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1C(N)CN1CCCC2CCCC21.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is ANCHCTVSWUAKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-8-9-18(21-2)15(11-13)16(19)12-20-10-4-6-14-5-3-7-17(14)20/h8-9,11,14,16-17H,3-7,10,12,19H2,1-2H3.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 288.44 g/mol, XLogP of 3.27, 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-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 65320598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).