3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine

C15H16BrClN2 — CID 105367908

IUPAC3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine
SMILESCc1cnc(N(C)C(C)c2cccc(Cl)c2)c(Br)c1
InChIInChI=1S/C15H16BrClN2/c1-10-7-14(16)15(18-9-10)19(3)11(2)12-5-4-6-13(17)8-12/h4-9,11H,1-3H3
InChIKeyWCBSZOHAFFAEJA-UHFFFAOYSA-N
MW339.66 g/mol
LogP5.00
Rot. Bonds3

About 3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine

3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine (PubChem CID 105367908) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine
PubChem CID105367908
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine
SMILESCc1cnc(N(C)C(C)c2cccc(Cl)c2)c(Br)c1
InChIInChI=1S/C15H16BrClN2/c1-10-7-14(16)15(18-9-10)19(3)11(2)12-5-4-6-13(17)8-12/h4-9,11H,1-3H3
InChIKeyWCBSZOHAFFAEJA-UHFFFAOYSA-N
XLogP5.00
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.66
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 63537031
5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80823025
2-bromo-1-N-[1-(3-chlorophenyl)ethyl]-1-N-methylbenzene-1,4-diamine
CID 55187118
3-bromo-N,5-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105367831
4-N-[1-(3-chlorophenyl)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80809297
4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80725929
3-N-[1-(3-chlorophenyl)ethyl]-3-N,1-dimethylpyrazole-3,4-diamine
CID 103078461
6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 116796862
4-N-[1-(3-chlorophenyl)ethyl]-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80809659
(1S)-1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
CID 103938724
1-[5-[1-(3-chlorophenyl)ethyl-methylamino]-2-pyridinyl]propan-1-ol
CID 115940456
6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-nitropyridin-2-amine
CID 62985307

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine (CID 105367908) is 3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine is Cc1cnc(N(C)C(C)c2cccc(Cl)c2)c(Br)c1.
What is the InChIKey of 3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine?
The InChIKey is WCBSZOHAFFAEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-10-7-14(16)15(18-9-10)19(3)11(2)12-5-4-6-13(17)8-12/h4-9,11H,1-3H3.
What are the key properties of 3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine?
3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine has a molecular weight of 339.66 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyridin-2-amine is sourced from PubChem (CID 105367908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).