2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine

C15H18BrN3O — CID 115147985

IUPAC2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
SMILESCOc1ccc(Br)cc1CN(C)c1ncc(N)cc1C
InChIInChI=1S/C15H18BrN3O/c1-10-6-13(17)8-18-15(10)19(2)9-11-7-12(16)4-5-14(11)20-3/h4-8H,9,17H2,1-3H3
InChIKeyVCVADAGDCYJXNA-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.38
Rot. Bonds4

About 2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine

2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine (PubChem CID 115147985) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
PubChem CID115147985
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
SMILESCOc1ccc(Br)cc1CN(C)c1ncc(N)cc1C
InChIInChI=1S/C15H18BrN3O/c1-10-6-13(17)8-18-15(10)19(2)9-11-7-12(16)4-5-14(11)20-3/h4-8H,9,17H2,1-3H3
InChIKeyVCVADAGDCYJXNA-UHFFFAOYSA-N
XLogP3.38
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 115147983
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline
CID 63458833
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 115148613
2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 62475698
2-N-(3-bromophenyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115147920
6-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyridin-3-amine
CID 54971788
3-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535776
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725313
5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 115148609
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 115147979
5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433
2-N-(2,2-dimethylpropyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 62475716

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine (CID 115147985) is 2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine is COc1ccc(Br)cc1CN(C)c1ncc(N)cc1C.
What is the InChIKey of 2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine?
The InChIKey is VCVADAGDCYJXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10-6-13(17)8-18-15(10)19(2)9-11-7-12(16)4-5-14(11)20-3/h4-8H,9,17H2,1-3H3.
What are the key properties of 2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine?
2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine has a molecular weight of 336.23 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 115147985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).