2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine

C15H19N3O — CID 63671320

IUPAC2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine
SMILESCCOc1cc(NC(C)c2ccccn2)ccc1N
InChIInChI=1S/C15H19N3O/c1-3-19-15-10-12(7-8-13(15)16)18-11(2)14-6-4-5-9-17-14/h4-11,18H,3,16H2,1-2H3
InChIKeyULBZQTSUYTVIGG-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.24
Rot. Bonds5

About 2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine

2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine (PubChem CID 63671320) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine
PubChem CID63671320
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine
SMILESCCOc1cc(NC(C)c2ccccn2)ccc1N
InChIInChI=1S/C15H19N3O/c1-3-19-15-10-12(7-8-13(15)16)18-11(2)14-6-4-5-9-17-14/h4-11,18H,3,16H2,1-2H3
InChIKeyULBZQTSUYTVIGG-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43717313
3-ethoxy-4-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43729895
3-chloro-4-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 54863996
2-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43191702
2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol
CID 43751475
1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81400310
2-(4-amino-3-ethoxyanilino)-3-phenylpropan-1-ol
CID 63677132
2-ethoxy-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43706285
3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol
CID 106348438
3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43196359
6-ethoxy-4-N-(4-methoxyphenyl)-2-N-(1-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 67016106
2-ethoxy-4-N-(2-methylsulfanylphenyl)benzene-1,4-diamine
CID 107643474

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine (CID 63671320) is 2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine is CCOc1cc(NC(C)c2ccccn2)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine?
The InChIKey is ULBZQTSUYTVIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-19-15-10-12(7-8-13(15)16)18-11(2)14-6-4-5-9-17-14/h4-11,18H,3,16H2,1-2H3.
What are the key properties of 2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine?
2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine has a molecular weight of 257.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 63671320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).