2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine

C15H18BrN3O — CID 115147433

IUPAC2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
SMILESCOc1ccc(CN(C)c2cc(C)c(N)cn2)cc1Br
InChIInChI=1S/C15H18BrN3O/c1-10-6-15(18-8-13(10)17)19(2)9-11-4-5-14(20-3)12(16)7-11/h4-8H,9,17H2,1-3H3
InChIKeyYUSWIROKXMZAPW-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.38
Rot. Bonds4

About 2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine

2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine (PubChem CID 115147433) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
PubChem CID115147433
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
SMILESCOc1ccc(CN(C)c2cc(C)c(N)cn2)cc1Br
InChIInChI=1S/C15H18BrN3O/c1-10-6-15(18-8-13(10)17)19(2)9-11-4-5-14(20-3)12(16)7-11/h4-8H,9,17H2,1-3H3
InChIKeyYUSWIROKXMZAPW-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-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 79173849
2-N-[(3,4-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147437
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 171324276
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]benzenecarbothioamide
CID 62970187
5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine
CID 115146736
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224072
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 115148613
N-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine
CID 115147182
2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 79475919
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
3-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-1-methylurea
CID 115192752

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine (CID 115147433) is 2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine is COc1ccc(CN(C)c2cc(C)c(N)cn2)cc1Br.
What is the InChIKey of 2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine?
The InChIKey is YUSWIROKXMZAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10-6-15(18-8-13(10)17)19(2)9-11-4-5-14(20-3)12(16)7-11/h4-8H,9,17H2,1-3H3.
What are the key properties of 2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine?
2-N-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-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-[(3-bromo-4-methoxyphenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 115147433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).