3-[(N-ethylanilino)methyl]pyridin-2-amine

C14H17N3 — CID 62471121

IUPAC3-[(N-ethylanilino)methyl]pyridin-2-amine
SMILESCCN(Cc1cccnc1N)c1ccccc1
InChIInChI=1S/C14H17N3/c1-2-17(13-8-4-3-5-9-13)11-12-7-6-10-16-14(12)15/h3-10H,2,11H2,1H3,(H2,15,16)
InChIKeyFPHSSVAXBWUNQQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.69
Rot. Bonds4

About 3-[(N-ethylanilino)methyl]pyridin-2-amine

3-[(N-ethylanilino)methyl]pyridin-2-amine (PubChem CID 62471121) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[(N-ethylanilino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(N-ethylanilino)methyl]pyridin-2-amine
PubChem CID62471121
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-[(N-ethylanilino)methyl]pyridin-2-amine
SMILESCCN(Cc1cccnc1N)c1ccccc1
InChIInChI=1S/C14H17N3/c1-2-17(13-8-4-3-5-9-13)11-12-7-6-10-16-14(12)15/h3-10H,2,11H2,1H3,(H2,15,16)
InChIKeyFPHSSVAXBWUNQQ-UHFFFAOYSA-N
XLogP2.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(N-ethylanilino)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

Frequently Asked Questions

What is the IUPAC name of 3-[(N-ethylanilino)methyl]pyridin-2-amine?
The IUPAC name of 3-[(N-ethylanilino)methyl]pyridin-2-amine (CID 62471121) is 3-[(N-ethylanilino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(N-ethylanilino)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(N-ethylanilino)methyl]pyridin-2-amine is CCN(Cc1cccnc1N)c1ccccc1.
What is the InChIKey of 3-[(N-ethylanilino)methyl]pyridin-2-amine?
The InChIKey is FPHSSVAXBWUNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-17(13-8-4-3-5-9-13)11-12-7-6-10-16-14(12)15/h3-10H,2,11H2,1H3,(H2,15,16).
What are the key properties of 3-[(N-ethylanilino)methyl]pyridin-2-amine?
3-[(N-ethylanilino)methyl]pyridin-2-amine has a molecular weight of 227.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-ethylanilino)methyl]pyridin-2-amine is sourced from PubChem (CID 62471121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).