3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine

C15H19N3O — CID 114698392

IUPAC3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine
SMILESCCOc1cccc(NCc2ccncc2C)c1N
InChIInChI=1S/C15H19N3O/c1-3-19-14-6-4-5-13(15(14)16)18-10-12-7-8-17-9-11(12)2/h4-9,18H,3,10,16H2,1-2H3
InChIKeyAYIJSFONEIUSMR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.98
Rot. Bonds5

About 3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine

3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine (PubChem CID 114698392) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine
PubChem CID114698392
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine
SMILESCCOc1cccc(NCc2ccncc2C)c1N
InChIInChI=1S/C15H19N3O/c1-3-19-14-6-4-5-13(15(14)16)18-10-12-7-8-17-9-11(12)2/h4-9,18H,3,10,16H2,1-2H3
InChIKeyAYIJSFONEIUSMR-UHFFFAOYSA-N
XLogP2.98
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine 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

5-ethoxy-3-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,3-diamine
CID 114698467
2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698563
3-ethoxy-1-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine
CID 114127048
3-ethoxy-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
CID 113392707
3-ethoxy-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine
CID 113392589
4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133468437
ethyl 5-amino-2-[(3-methyl-4-pyridinyl)methylamino]benzoate
CID 114701709
6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
CID 114702189
4-ethoxy-5-fluoro-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 114954536
3-[(2-methylanilino)methyl]pyridin-4-amine
CID 105466959
3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
CID 114700905
2-amino-3-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698208

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine?
The IUPAC name of 3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine (CID 114698392) is 3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine is CCOc1cccc(NCc2ccncc2C)c1N.
What is the InChIKey of 3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine?
The InChIKey is AYIJSFONEIUSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-19-14-6-4-5-13(15(14)16)18-10-12-7-8-17-9-11(12)2/h4-9,18H,3,10,16H2,1-2H3.
What are the key properties of 3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine?
3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 114698392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).