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

C16H20ClN3 — CID 114925260

IUPAC5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCNCc1cc(N(C)Cc2ccc(C)cc2)ncc1Cl
InChIInChI=1S/C16H20ClN3/c1-12-4-6-13(7-5-12)11-20(3)16-8-14(9-18-2)15(17)10-19-16/h4-8,10,18H,9,11H2,1-3H3
InChIKeyJBDCSAPHTWHXFE-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.40
Rot. Bonds5

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

5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine (PubChem CID 114925260) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine
PubChem CID114925260
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCNCc1cc(N(C)Cc2ccc(C)cc2)ncc1Cl
InChIInChI=1S/C16H20ClN3/c1-12-4-6-13(7-5-12)11-20(3)16-8-14(9-18-2)15(17)10-19-16/h4-8,10,18H,9,11H2,1-3H3
InChIKeyJBDCSAPHTWHXFE-UHFFFAOYSA-N
XLogP3.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114925259
5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114925273
5-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926249
5-chloro-N-methyl-4-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 114926811
2-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]aniline
CID 81149069
5-chloro-N-(2-methoxyethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926159
5-chloro-N-ethyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 114925871
5-chloro-N-methyl-4-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 114926750
5-chloro-N-methyl-4-(methylaminomethyl)-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 114926517
3-chloro-N,5-dimethyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 70610903
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 114925592
2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine
CID 80652508

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine (CID 114925260) is 5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine is CNCc1cc(N(C)Cc2ccc(C)cc2)ncc1Cl.
What is the InChIKey of 5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is JBDCSAPHTWHXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-12-4-6-13(7-5-12)11-20(3)16-8-14(9-18-2)15(17)10-19-16/h4-8,10,18H,9,11H2,1-3H3.
What are the key properties of 5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine?
5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 289.81 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 114925260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).