5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine

C16H19BrN2 — CID 115147167

IUPAC5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine
SMILESCc1ccc(CN(C)c2cc(C)c(Br)cn2)c(C)c1
InChIInChI=1S/C16H19BrN2/c1-11-5-6-14(12(2)7-11)10-19(4)16-8-13(3)15(17)9-18-16/h5-9H,10H2,1-4H3
InChIKeySNDKPSQFXGEPNA-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.41
Rot. Bonds3

About 5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine

5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine (PubChem CID 115147167) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine
PubChem CID115147167
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine
SMILESCc1ccc(CN(C)c2cc(C)c(Br)cn2)c(C)c1
InChIInChI=1S/C16H19BrN2/c1-11-5-6-14(12(2)7-11)10-19(4)16-8-13(3)15(17)9-18-16/h5-9H,10H2,1-4H3
InChIKeySNDKPSQFXGEPNA-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-ethyl-N,4-dimethylpyridin-2-amine
CID 114870243
4-N-[(2,4-dimethylphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265529
5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine
CID 114869917
5-bromo-N-(3,3-dimethylbutyl)-N,4-dimethylpyridin-2-amine
CID 115147222
N-(3H-benzimidazol-5-ylmethyl)-5-bromo-N,4-dimethylpyridin-2-amine
CID 115147182
2-N-[(2,5-difluorophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147436
5-bromo-N-(cyclopentylmethyl)-N,4-dimethylpyridin-2-amine
CID 114870435
5-bromo-N,4-dimethyl-N-(4-methylpentyl)pyridin-2-amine
CID 115147221
3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-2-methylpropanenitrile
CID 115898860
3-[[(5-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 114869106
5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine
CID 115147028
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 115773945

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine (CID 115147167) is 5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine is Cc1ccc(CN(C)c2cc(C)c(Br)cn2)c(C)c1.
What is the InChIKey of 5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine?
The InChIKey is SNDKPSQFXGEPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-11-5-6-14(12(2)7-11)10-19(4)16-8-13(3)15(17)9-18-16/h5-9H,10H2,1-4H3.
What are the key properties of 5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine?
5-bromo-N-[(2,4-dimethylphenyl)methyl]-N,4-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-[(2,4-dimethylphenyl)methyl]-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 115147167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).