2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine

C14H13Cl3N2 — CID 112655560

IUPAC2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccncc1Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H13Cl3N2/c1-18-13(7-9-5-6-19-8-12(9)17)14-10(15)3-2-4-11(14)16/h2-6,8,13,18H,7H2,1H3
InChIKeyBYPARZJQQJIZDJ-UHFFFAOYSA-N
MW315.63 g/mol
LogP4.55
Rot. Bonds4

About 2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine

2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine (PubChem CID 112655560) has the molecular formula C14H13Cl3N2 and a molecular weight of 315.63 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
PubChem CID112655560
Molecular FormulaC14H13Cl3N2
Molecular Weight315.63 g/mol
Exact Mass314.01
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccncc1Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H13Cl3N2/c1-18-13(7-9-5-6-19-8-12(9)17)14-10(15)3-2-4-11(14)16/h2-6,8,13,18H,7H2,1H3
InChIKeyBYPARZJQQJIZDJ-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.63
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 112655632
2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine
CID 115984879
2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105157425
1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 112655591
2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115984888
1-(1-benzothiophen-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 115984876
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
[1-(2-chlorophenyl)-2-(3-chloro-4-pyridinyl)ethyl]hydrazine
CID 105211070
2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115984864
1-(2-chlorophenyl)sulfanyl-3-(3-chloro-4-pyridinyl)-N-methylpropan-2-amine
CID 66139956

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine (CID 112655560) is 2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine is CNC(Cc1ccncc1Cl)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine?
The InChIKey is BYPARZJQQJIZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2/c1-18-13(7-9-5-6-19-8-12(9)17)14-10(15)3-2-4-11(14)16/h2-6,8,13,18H,7H2,1H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine?
2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine has a molecular weight of 315.63 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 112655560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).