2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine

C17H18Cl2N2 — CID 79732112

IUPAC2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)c(Cl)c1)C1CCc2cccnc21
InChIInChI=1S/C17H18Cl2N2/c1-20-16(10-11-4-7-14(18)15(19)9-11)13-6-5-12-3-2-8-21-17(12)13/h2-4,7-9,13,16,20H,5-6,10H2,1H3
InChIKeyJSONTXVRGCWYPN-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.25
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine

2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine (PubChem CID 79732112) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
PubChem CID79732112
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)c(Cl)c1)C1CCc2cccnc21
InChIInChI=1S/C17H18Cl2N2/c1-20-16(10-11-4-7-14(18)15(19)9-11)13-6-5-12-3-2-8-21-17(12)13/h2-4,7-9,13,16,20H,5-6,10H2,1H3
InChIKeyJSONTXVRGCWYPN-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine with MolForge

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Related Compounds

2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79748582
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-phenylethanamine
CID 79747873
1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 81491760
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-3-phenylpropan-1-amine
CID 79748593
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
2-(4-chlorophenoxy)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 105166131
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-(4-bromophenyl)sulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79739422
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
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-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine (CID 79732112) is 2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine is CNC(Cc1ccc(Cl)c(Cl)c1)C1CCc2cccnc21.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine?
The InChIKey is JSONTXVRGCWYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c1-20-16(10-11-4-7-14(18)15(19)9-11)13-6-5-12-3-2-8-21-17(12)13/h2-4,7-9,13,16,20H,5-6,10H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine?
2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine has a molecular weight of 321.25 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine is sourced from PubChem (CID 79732112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).