3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine

C15H18BrN3 — CID 55054981

IUPAC3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
SMILESCc1ccc(N(C)c2ncc(Br)cc2CN)c(C)c1
InChIInChI=1S/C15H18BrN3/c1-10-4-5-14(11(2)6-10)19(3)15-12(8-17)7-13(16)9-18-15/h4-7,9H,8,17H2,1-3H3
InChIKeyNVCUXSWYRZGQHC-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.69
Rot. Bonds3

About 3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine

3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine (PubChem CID 55054981) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
PubChem CID55054981
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
SMILESCc1ccc(N(C)c2ncc(Br)cc2CN)c(C)c1
InChIInChI=1S/C15H18BrN3/c1-10-4-5-14(11(2)6-10)19(3)15-12(8-17)7-13(16)9-18-15/h4-7,9H,8,17H2,1-3H3
InChIKeyNVCUXSWYRZGQHC-UHFFFAOYSA-N
XLogP3.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-5-bromo-N-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 62286545
N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline
CID 107274862
5-bromo-N-[(2,5-dimethylphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 115148609
3-(aminomethyl)-5-bromo-N-[(2-bromophenyl)methyl]-N-methylpyridin-2-amine
CID 62286034
3-(aminomethyl)-N-(2,4-dimethylphenyl)-N,4,6-trimethylpyridin-2-amine
CID 62003686
5-bromo-N-(2-methoxy-5-methylphenyl)-N,3-dimethylpyridin-2-amine
CID 115148485
3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine
CID 62299284
[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine
CID 55058835
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984905
2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 79073469
2-N-(2,4-dimethylphenyl)-2-N-methylpyridine-2,5-diamine
CID 18419485
N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine
CID 79712553

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine (CID 55054981) is 3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine is Cc1ccc(N(C)c2ncc(Br)cc2CN)c(C)c1.
What is the InChIKey of 3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine?
The InChIKey is NVCUXSWYRZGQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10-4-5-14(11(2)6-10)19(3)15-12(8-17)7-13(16)9-18-15/h4-7,9H,8,17H2,1-3H3.
What are the key properties of 3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine?
3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine has a molecular weight of 320.23 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 55054981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).