3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine

C14H15BrClN3 — CID 115567050

IUPAC3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(Cc1cccnc1N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H15BrClN3/c1-18-13(8-10-3-2-6-19-14(10)17)9-4-5-12(16)11(15)7-9/h2-7,13,18H,8H2,1H3,(H2,17,19)
InChIKeyUOSLGGOMKLYQBX-UHFFFAOYSA-N
MW340.65 g/mol
LogP3.58
Rot. Bonds4

About 3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine

3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine (PubChem CID 115567050) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is 3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
PubChem CID115567050
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC Name3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(Cc1cccnc1N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H15BrClN3/c1-18-13(8-10-3-2-6-19-14(10)17)9-4-5-12(16)11(15)7-9/h2-7,13,18H,8H2,1H3,(H2,17,19)
InChIKeyUOSLGGOMKLYQBX-UHFFFAOYSA-N
XLogP3.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 82809316
3-[2-(4-chlorophenyl)-2-hydrazinylethyl]pyridin-2-amine
CID 105193448
1-(3-bromo-4-chlorophenyl)-2-(5-bromo-2-fluorophenyl)-N-methylethanamine
CID 115567161
2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethanol
CID 115563179
3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine
CID 107920651
2-(2-chlorophenyl)-N-methyl-1-quinolin-6-ylethanamine
CID 63095103
3-[2-(methylamino)-2-thieno[3,2-b]pyridin-6-ylethyl]pyridin-2-amine
CID 81143119
1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446677
1-(3-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857903
3-[2-(6-methoxypyridazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine
CID 103374238
3-[2-(3-chloro-2-pyridinyl)-2-hydrazinylethyl]pyridin-2-amine
CID 103445799
3-[2-hydrazinyl-2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine
CID 106850370

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine (CID 115567050) is 3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine is CNC(Cc1cccnc1N)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine?
The InChIKey is UOSLGGOMKLYQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-18-13(8-10-3-2-6-19-14(10)17)9-4-5-12(16)11(15)7-9/h2-7,13,18H,8H2,1H3,(H2,17,19).
What are the key properties of 3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine?
3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine has a molecular weight of 340.65 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 115567050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).