1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine

C13H14ClN3 — CID 105158118

IUPAC1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine
SMILESCNC(Cc1ccccn1)c1ccncc1Cl
InChIInChI=1S/C13H14ClN3/c1-15-13(8-10-4-2-3-6-17-10)11-5-7-16-9-12(11)14/h2-7,9,13,15H,8H2,1H3
InChIKeyOXVSIFJDDKCFML-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.63
Rot. Bonds4

About 1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine

1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 105158118) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine
PubChem CID105158118
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine
SMILESCNC(Cc1ccccn1)c1ccncc1Cl
InChIInChI=1S/C13H14ClN3/c1-15-13(8-10-4-2-3-6-17-10)11-5-7-16-9-12(11)14/h2-7,9,13,15H,8H2,1H3
InChIKeyOXVSIFJDDKCFML-UHFFFAOYSA-N
XLogP2.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
N-methyl-1-(2-methylphenyl)-2-pyridin-2-ylethanamine
CID 60818162
1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154934
1-(3-chloro-4-pyridinyl)-N,4-dimethylpentan-1-amine
CID 105127189
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106866140
1-(3-chloro-4-pyridinyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 105133902
1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine
CID 105125649
1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 107513169
1-(3-chloro-4-pyridinyl)-N,3-dimethylpentan-1-amine
CID 105138462
N-methyl-2-pyridin-2-yl-1-quinoxalin-5-ylethanamine
CID 105158086
N-ethyl-1-(4-methyl-3-pyridinyl)-2-pyridin-2-ylethanamine
CID 66273129
[1-(3-methoxy-4-pyridinyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315394

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine (CID 105158118) is 1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine is CNC(Cc1ccccn1)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is OXVSIFJDDKCFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-15-13(8-10-4-2-3-6-17-10)11-5-7-16-9-12(11)14/h2-7,9,13,15H,8H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine?
1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 247.73 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 105158118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).