5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine

C14H14BrClN2 — CID 103583130

IUPAC5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine
SMILESCCN(c1ccccc1C)c1ncc(Br)cc1Cl
InChIInChI=1S/C14H14BrClN2/c1-3-18(13-7-5-4-6-10(13)2)14-12(16)8-11(15)9-17-14/h4-9H,3H2,1-2H3
InChIKeyNLMHXPLUBVBSND-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.96
Rot. Bonds3

About 5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine

5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine (PubChem CID 103583130) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine
PubChem CID103583130
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine
SMILESCCN(c1ccccc1C)c1ncc(Br)cc1Cl
InChIInChI=1S/C14H14BrClN2/c1-3-18(13-7-5-4-6-10(13)2)14-12(16)8-11(15)9-17-14/h4-9H,3H2,1-2H3
InChIKeyNLMHXPLUBVBSND-UHFFFAOYSA-N
XLogP4.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chloropyramine
CID 25295
Chloropyramine Hydrochloride
CID 80311
1-(5-Bromopyridin-2-yl)-3-[2-(2-chlorophenyl)ethyl]thiourea
CID 3001768
5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine
CID 118707602
5-bromo-N-[4-(diethylamino)benzyl]-2-pyridinamine
CID 975753
3,5-dibromo-N-[4-(dimethylamino)benzyl]pyridin-2-amine
CID 3640000
1-(4-Bromo-2-chlorophenyl)-3-(4-methylpyridin-2-yl)urea
CID 6469878
9-Chloro-6,12-dimethyl-5,6,11,12-tetrahydropyrido[3,2-c][1,5]benzodiazocine
CID 8219202
2-((4-chlorobenzyl)(pyridin-2-yl)amino)-N,N,N-trimethylethanaminium iodide
CID 9551614
1-(5-Chloro-2-methylphenyl)-4-(1-methylpyridin-1-ium-2-yl)piperazine iodide
CID 15945206
1-Benzyl-4-(3-chloro-pyridin-2-yl)-piperazine
CID 44292196
5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N,N-dimethylpyridin-2-amine
CID 118707604

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine (CID 103583130) is 5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine is CCN(c1ccccc1C)c1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine?
The InChIKey is NLMHXPLUBVBSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-3-18(13-7-5-4-6-10(13)2)14-12(16)8-11(15)9-17-14/h4-9H,3H2,1-2H3.
What are the key properties of 5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine?
5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine has a molecular weight of 325.64 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 103583130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).