3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine

C15H19N3 — CID 81249174

IUPAC3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine
SMILESCCN(c1ccccc1C)c1ccncc1CN
InChIInChI=1S/C15H19N3/c1-3-18(14-7-5-4-6-12(14)2)15-8-9-17-11-13(15)10-16/h4-9,11H,3,10,16H2,1-2H3
InChIKeyIYFPLAIHTKKQRH-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.01
Rot. Bonds4

About 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine

3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine (PubChem CID 81249174) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine
PubChem CID81249174
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine
SMILESCCN(c1ccccc1C)c1ccncc1CN
InChIInChI=1S/C15H19N3/c1-3-18(14-7-5-4-6-12(14)2)15-8-9-17-11-13(15)10-16/h4-9,11H,3,10,16H2,1-2H3
InChIKeyIYFPLAIHTKKQRH-UHFFFAOYSA-N
XLogP3.01
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine (CID 81249174) is 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine is CCN(c1ccccc1C)c1ccncc1CN.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine?
The InChIKey is IYFPLAIHTKKQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-18(14-7-5-4-6-12(14)2)15-8-9-17-11-13(15)10-16/h4-9,11H,3,10,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine?
3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine has a molecular weight of 241.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine is sourced from PubChem (CID 81249174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).