5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine

C14H14BrClN2O — CID 103583219

IUPAC5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
SMILESCOc1cccc(CN(C)c2ncc(Br)cc2Cl)c1
InChIInChI=1S/C14H14BrClN2O/c1-18(14-13(16)7-11(15)8-17-14)9-10-4-3-5-12(6-10)19-2/h3-8H,9H2,1-2H3
InChIKeyRPUMLLCNDQFBCM-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.14
Rot. Bonds4

About 5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine

5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine (PubChem CID 103583219) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
PubChem CID103583219
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
SMILESCOc1cccc(CN(C)c2ncc(Br)cc2Cl)c1
InChIInChI=1S/C14H14BrClN2O/c1-18(14-13(16)7-11(15)8-17-14)9-10-4-3-5-12(6-10)19-2/h3-8H,9H2,1-2H3
InChIKeyRPUMLLCNDQFBCM-UHFFFAOYSA-N
XLogP4.14
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine
CID 105367764
5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80628764
5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 103583292
3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine
CID 102756557
5-bromo-2-N-[(3-chlorophenyl)methyl]-2-N-methylpyridine-2,3-diamine
CID 61413712
5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433
5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 61420357
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
CID 61420405
5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 171328588
6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 63962800
5-bromo-3-chloro-N-methyl-N-phenylpyridin-2-amine
CID 103583115
N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
CID 103582930

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine (CID 103583219) is 5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine is COc1cccc(CN(C)c2ncc(Br)cc2Cl)c1.
What is the InChIKey of 5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
The InChIKey is RPUMLLCNDQFBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-18(14-13(16)7-11(15)8-17-14)9-10-4-3-5-12(6-10)19-2/h3-8H,9H2,1-2H3.
What are the key properties of 5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine?
5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine has a molecular weight of 341.64 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 103583219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).