2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine

C17H19ClN2 — CID 79748582

IUPAC2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)C1CCc2cccnc21
InChIInChI=1S/C17H19ClN2/c1-19-16(11-12-4-7-14(18)8-5-12)15-9-6-13-3-2-10-20-17(13)15/h2-5,7-8,10,15-16,19H,6,9,11H2,1H3
InChIKeyRPVFTSMEZIMBQK-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.60
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine

2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine (PubChem CID 79748582) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
PubChem CID79748582
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)C1CCc2cccnc21
InChIInChI=1S/C17H19ClN2/c1-19-16(11-12-4-7-14(18)8-5-12)15-9-6-13-3-2-10-20-17(13)15/h2-5,7-8,10,15-16,19H,6,9,11H2,1H3
InChIKeyRPVFTSMEZIMBQK-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-phenylethanamine
CID 79747873
2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79732112
2-(4-chlorophenoxy)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 105166131
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine
CID 79748593
2-(3-chlorophenoxy)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 105165989
[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198346
2-(2-chlorophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79740247
2-(3-chlorophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79740250
N-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 79732011
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 81491760
1-(3-bromo-5-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 107946316

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine (CID 79748582) is 2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine is CNC(Cc1ccc(Cl)cc1)C1CCc2cccnc21.
What is the InChIKey of 2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine?
The InChIKey is RPVFTSMEZIMBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-19-16(11-12-4-7-14(18)8-5-12)15-9-6-13-3-2-10-20-17(13)15/h2-5,7-8,10,15-16,19H,6,9,11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine?
2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine has a molecular weight of 286.81 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine is sourced from PubChem (CID 79748582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).