2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine

C15H16Cl2N2 — CID 106866140

IUPAC2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)cc1Cl)c1ccncc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-10-3-4-11(13(16)7-10)8-15(18-2)12-5-6-19-9-14(12)17/h3-7,9,15,18H,8H2,1-2H3
InChIKeyCLCYRUZEWPBPJI-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.20
Rot. Bonds4

About 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine

2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine (PubChem CID 106866140) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
PubChem CID106866140
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)cc1Cl)c1ccncc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-10-3-4-11(13(16)7-10)8-15(18-2)12-5-6-19-9-14(12)17/h3-7,9,15,18H,8H2,1-2H3
InChIKeyCLCYRUZEWPBPJI-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.20
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-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 106866146
[1-(3-chloro-4-pyridinyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105287759
2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine
CID 106867306
1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105132627
N-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 106866904
2-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 106867237
2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947153
2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 106867137
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 106868740
2-(3-chloro-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 115984884
1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine
CID 105158118

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine (CID 106866140) is 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine is CNC(Cc1ccc(C)cc1Cl)c1ccncc1Cl.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine?
The InChIKey is CLCYRUZEWPBPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-10-3-4-11(13(16)7-10)8-15(18-2)12-5-6-19-9-14(12)17/h3-7,9,15,18H,8H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine?
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine has a molecular weight of 295.21 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 106866140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).