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

C15H16BrClN2 — CID 106868760

IUPAC1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)cc1Cl)c1ncccc1Br
InChIInChI=1S/C15H16BrClN2/c1-10-5-6-11(13(17)8-10)9-14(18-2)15-12(16)4-3-7-19-15/h3-8,14,18H,9H2,1-2H3
InChIKeySFBSHENVHUBXSF-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.31
Rot. Bonds4

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

1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine (PubChem CID 106868760) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine
PubChem CID106868760
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)cc1Cl)c1ncccc1Br
InChIInChI=1S/C15H16BrClN2/c1-10-5-6-11(13(17)8-10)9-14(18-2)15-12(16)4-3-7-19-15/h3-8,14,18H,9H2,1-2H3
InChIKeySFBSHENVHUBXSF-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 106868740
2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947153
1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine
CID 113398487
1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-ylethanamine
CID 113447017
2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 106866146
[2-(4-bromo-2-chlorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209275
2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
CID 103444324
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804039
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106866140
2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine
CID 106867306
1-(3-chloro-4-iodophenyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106866324
2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 106867137

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine (CID 106868760) is 1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine is CNC(Cc1ccc(C)cc1Cl)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine?
The InChIKey is SFBSHENVHUBXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-10-5-6-11(13(17)8-10)9-14(18-2)15-12(16)4-3-7-19-15/h3-8,14,18H,9H2,1-2H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine?
1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine has a molecular weight of 339.66 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 106868760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).