5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine

C16H19BrN2 — CID 115148609

IUPAC5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine
SMILESCc1ccc(C)c(CN(C)c2ncc(Br)cc2C)c1
InChIInChI=1S/C16H19BrN2/c1-11-5-6-12(2)14(7-11)10-19(4)16-13(3)8-15(17)9-18-16/h5-9H,10H2,1-4H3
InChIKeyIOHLSMLBULXPMV-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.41
Rot. Bonds3

About 5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine

5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine (PubChem CID 115148609) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine
PubChem CID115148609
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine
SMILESCc1ccc(C)c(CN(C)c2ncc(Br)cc2C)c1
InChIInChI=1S/C16H19BrN2/c1-11-5-6-12(2)14(7-11)10-19(4)16-13(3)8-15(17)9-18-16/h5-9H,10H2,1-4H3
InChIKeyIOHLSMLBULXPMV-UHFFFAOYSA-N
XLogP4.41
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine
CID 115148671
5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433
4-[[(5-bromo-3-methyl-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 133373673
3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
CID 55054981
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 115148613
5-bromo-N-(2-methoxy-5-methylphenyl)-N,3-dimethylpyridin-2-amine
CID 115148485
2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 115147985
5-bromo-N-tert-butyl-N,3-dimethylpyridin-2-amine
CID 115148475
5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 80629685
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate
CID 79718647
3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
CID 62286034
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-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine (CID 115148609) is 5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine is Cc1ccc(C)c(CN(C)c2ncc(Br)cc2C)c1.
What is the InChIKey of 5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine?
The InChIKey is IOHLSMLBULXPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-11-5-6-12(2)14(7-11)10-19(4)16-13(3)8-15(17)9-18-16/h5-9H,10H2,1-4H3.
What are the key properties of 5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine?
5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine has a molecular weight of 319.25 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 115148609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).