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

C16H16Cl2N2 — CID 81491760

IUPAC1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)C1CCc2cccnc21
InChIInChI=1S/C16H16Cl2N2/c1-19-15(11-5-7-13(17)14(18)9-11)12-6-4-10-3-2-8-20-16(10)12/h2-3,5,7-9,12,15,19H,4,6H2,1H3
InChIKeyTURAOBUWTXZVMB-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.38
Rot. Bonds3

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

1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine (PubChem CID 81491760) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
PubChem CID81491760
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)C1CCc2cccnc21
InChIInChI=1S/C16H16Cl2N2/c1-19-15(11-5-7-13(17)14(18)9-11)12-6-4-10-3-2-8-20-16(10)12/h2-3,5,7-9,12,15,19H,4,6H2,1H3
InChIKeyTURAOBUWTXZVMB-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 105009845
1-(3-bromo-5-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 107946316
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 79733088
1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748499
2-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79732112
1-(4-bromo-3,5-dimethylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 114330478
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 79732092
1-(5-chlorofuran-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 106692576
1-(2-bromo-4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 107994272
1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007411
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 107946281
(3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 105009692

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine (CID 81491760) is 1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine is CNC(c1ccc(Cl)c(Cl)c1)C1CCc2cccnc21.
What is the InChIKey of 1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine?
The InChIKey is TURAOBUWTXZVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2/c1-19-15(11-5-7-13(17)14(18)9-11)12-6-4-10-3-2-8-20-16(10)12/h2-3,5,7-9,12,15,19H,4,6H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine?
1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine has a molecular weight of 307.22 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine is sourced from PubChem (CID 81491760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).