1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine

C17H25ClN2 — CID 65319403

IUPAC1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine
SMILESCC(N)C(c1ccccc1Cl)N1CCCC2CCCC21
InChIInChI=1S/C17H25ClN2/c1-12(19)17(14-8-2-3-9-15(14)18)20-11-5-7-13-6-4-10-16(13)20/h2-3,8-9,12-13,16-17H,4-7,10-11,19H2,1H3
InChIKeyHZXYFYZEDAYWIA-UHFFFAOYSA-N
MW292.85 g/mol
LogP3.99
Rot. Bonds3

About 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine

1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine (PubChem CID 65319403) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine
PubChem CID65319403
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine
SMILESCC(N)C(c1ccccc1Cl)N1CCCC2CCCC21
InChIInChI=1S/C17H25ClN2/c1-12(19)17(14-8-2-3-9-15(14)18)20-11-5-7-13-6-4-10-16(13)20/h2-3,8-9,12-13,16-17H,4-7,10-11,19H2,1H3
InChIKeyHZXYFYZEDAYWIA-UHFFFAOYSA-N
XLogP3.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine 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

1-[2-amino-1-(2-chlorophenyl)propyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194875
1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
CID 55018564
1-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine
CID 55019191
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-pyridin-3-ylpropan-2-amine
CID 65319111
1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-chlorophenyl)propan-2-amine
CID 55022515
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(4-bromophenyl)propan-2-amine
CID 63406015
1-(2-chlorophenyl)-1-(3-methylmorpholin-4-yl)propan-2-amine
CID 55022896
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102726031
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-chlorophenyl)butan-2-amine
CID 65319355
1-(azocan-1-yl)-1-(2-chlorophenyl)butan-2-amine
CID 63406052
1-(2-ethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018825
4-[2-amino-1-(2-chlorophenyl)propyl]morpholine-3-carboxamide
CID 83101200

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine?
The IUPAC name of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine (CID 65319403) is 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine?
The canonical SMILES for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine is CC(N)C(c1ccccc1Cl)N1CCCC2CCCC21.
What is the InChIKey of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine?
The InChIKey is HZXYFYZEDAYWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-12(19)17(14-8-2-3-9-15(14)18)20-11-5-7-13-6-4-10-16(13)20/h2-3,8-9,12-13,16-17H,4-7,10-11,19H2,1H3.
What are the key properties of 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine?
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine has a molecular weight of 292.85 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine is sourced from PubChem (CID 65319403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).