2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine

C14H16ClN3 — CID 105157425

IUPAC2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1ccncc1Cl)c1ccc(C)nc1
InChIInChI=1S/C14H16ClN3/c1-10-3-4-12(8-18-10)14(16-2)7-11-5-6-17-9-13(11)15/h3-6,8-9,14,16H,7H2,1-2H3
InChIKeyKLXNGJADWXNRQO-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.94
Rot. Bonds4

About 2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine

2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 105157425) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
PubChem CID105157425
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1ccncc1Cl)c1ccc(C)nc1
InChIInChI=1S/C14H16ClN3/c1-10-3-4-12(8-18-10)14(16-2)7-11-5-6-17-9-13(11)15/h3-6,8-9,14,16H,7H2,1-2H3
InChIKeyKLXNGJADWXNRQO-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155784
2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115984864
2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 112655560
2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115984888
2-(2-chlorophenyl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155781
[1-(4-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethyl]hydrazine
CID 105314719
2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 112655632
2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155527
[2-(3-chloro-4-pyridinyl)-1-(2,6-dimethyl-3-pyridinyl)ethyl]hydrazine
CID 105314703
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105157435
1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106854830
3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516735

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine (CID 105157425) is 2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine is CNC(Cc1ccncc1Cl)c1ccc(C)nc1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is KLXNGJADWXNRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-3-4-12(8-18-10)14(16-2)7-11-5-6-17-9-13(11)15/h3-6,8-9,14,16H,7H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine has a molecular weight of 261.76 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105157425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).