4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine

C15H18ClN3 — CID 114925259

IUPAC4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(CN(C)c2cc(CN)c(Cl)cn2)cc1
InChIInChI=1S/C15H18ClN3/c1-11-3-5-12(6-4-11)10-19(2)15-7-13(8-17)14(16)9-18-15/h3-7,9H,8,10,17H2,1-2H3
InChIKeyXJJWGFFAPOTODF-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.14
Rot. Bonds4

About 4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine

4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine (PubChem CID 114925259) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
PubChem CID114925259
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(CN(C)c2cc(CN)c(Cl)cn2)cc1
InChIInChI=1S/C15H18ClN3/c1-11-3-5-12(6-4-11)10-19(2)15-7-13(8-17)14(16)9-18-15/h3-7,9H,8,10,17H2,1-2H3
InChIKeyXJJWGFFAPOTODF-UHFFFAOYSA-N
XLogP3.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114925260
4-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 114926248
4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylpyridin-2-amine
CID 114926094
4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 114925953
2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine
CID 80652508
4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 114925467
3-chloro-N,5-dimethyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 70610903
4-(aminomethyl)-5-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 114926756
6-chloro-4-N-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 31537685
4-(aminomethyl)-5-chloro-N-cyclopropyl-N-methylpyridin-2-amine
CID 114925351
[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol
CID 114920211
5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 80633800

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine (CID 114925259) is 4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine is Cc1ccc(CN(C)c2cc(CN)c(Cl)cn2)cc1.
What is the InChIKey of 4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is XJJWGFFAPOTODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11-3-5-12(6-4-11)10-19(2)15-7-13(8-17)14(16)9-18-15/h3-7,9H,8,10,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine?
4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 275.78 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 114925259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).