1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine

C16H18BrClN2 — CID 107994454

IUPAC1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ccc(Cl)cc2Br)nc1
InChIInChI=1S/C16H18BrClN2/c1-3-11-4-6-13(20-10-11)9-16(19-2)14-7-5-12(18)8-15(14)17/h4-8,10,16,19H,3,9H2,1-2H3
InChIKeyVKOCPWMNKRILKP-UHFFFAOYSA-N
MW353.69 g/mol
LogP4.56
Rot. Bonds5

About 1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine

1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine (PubChem CID 107994454) has the molecular formula C16H18BrClN2 and a molecular weight of 353.69 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
PubChem CID107994454
Molecular FormulaC16H18BrClN2
Molecular Weight353.69 g/mol
Exact Mass352.03
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ccc(Cl)cc2Br)nc1
InChIInChI=1S/C16H18BrClN2/c1-3-11-4-6-13(20-10-11)9-16(19-2)14-7-5-12(18)8-15(14)17/h4-8,10,16,19H,3,9H2,1-2H3
InChIKeyVKOCPWMNKRILKP-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.69
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 105014462
1-(3-chloro-4-fluorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79748694
1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107988881
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 79747878
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 79733087
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79747809
1-(2-bromo-4-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)-N-methylethanamine
CID 107993553
1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79748456
1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014661
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036045
1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114025371
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014457

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine (CID 107994454) is 1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine is CCc1ccc(CC(NC)c2ccc(Cl)cc2Br)nc1.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The InChIKey is VKOCPWMNKRILKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2/c1-3-11-4-6-13(20-10-11)9-16(19-2)14-7-5-12(18)8-15(14)17/h4-8,10,16,19H,3,9H2,1-2H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine has a molecular weight of 353.69 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 107994454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).