4-N-(4-propoxyphenyl)benzene-1,2,4-triamine

C15H19N3O — CID 106750723

IUPAC4-N-(4-propoxyphenyl)benzene-1,2,4-triamine
SMILESCCCOc1ccc(Nc2ccc(N)c(N)c2)cc1
InChIInChI=1S/C15H19N3O/c1-2-9-19-13-6-3-11(4-7-13)18-12-5-8-14(16)15(17)10-12/h3-8,10,18H,2,9,16-17H2,1H3
InChIKeyWUARBGUVYWKWBI-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.38
Rot. Bonds5

About 4-N-(4-propoxyphenyl)benzene-1,2,4-triamine

4-N-(4-propoxyphenyl)benzene-1,2,4-triamine (PubChem CID 106750723) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-(4-propoxyphenyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(4-propoxyphenyl)benzene-1,2,4-triamine
PubChem CID106750723
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-N-(4-propoxyphenyl)benzene-1,2,4-triamine
SMILESCCCOc1ccc(Nc2ccc(N)c(N)c2)cc1
InChIInChI=1S/C15H19N3O/c1-2-9-19-13-6-3-11(4-7-13)18-12-5-8-14(16)15(17)10-12/h3-8,10,18H,2,9,16-17H2,1H3
InChIKeyWUARBGUVYWKWBI-UHFFFAOYSA-N
XLogP3.38
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-(4-propoxyphenyl)benzene-1,2,4-triamine 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-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 106890306
4-(4-propoxyanilino)benzenecarbothioamide
CID 62327993
2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 62329507
3-N-(4-propoxyphenyl)pyrazine-2,3-diamine
CID 102986304
4-N-phenyl-2-propoxybenzene-1,4-diamine
CID 55233336
4-decoxy-N-(4-decoxyphenyl)aniline
CID 19796048
2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine
CID 80825854
N-phenyl-3-propoxyaniline
CID 71334741
6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80907992
4-heptoxybenzene-1,2-diamine
CID 54795786
4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80941469

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-propoxyphenyl)benzene-1,2,4-triamine?
The IUPAC name of 4-N-(4-propoxyphenyl)benzene-1,2,4-triamine (CID 106750723) is 4-N-(4-propoxyphenyl)benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(4-propoxyphenyl)benzene-1,2,4-triamine?
The canonical SMILES for 4-N-(4-propoxyphenyl)benzene-1,2,4-triamine is CCCOc1ccc(Nc2ccc(N)c(N)c2)cc1.
What is the InChIKey of 4-N-(4-propoxyphenyl)benzene-1,2,4-triamine?
The InChIKey is WUARBGUVYWKWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-9-19-13-6-3-11(4-7-13)18-12-5-8-14(16)15(17)10-12/h3-8,10,18H,2,9,16-17H2,1H3.
What are the key properties of 4-N-(4-propoxyphenyl)benzene-1,2,4-triamine?
4-N-(4-propoxyphenyl)benzene-1,2,4-triamine has a molecular weight of 257.34 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-propoxyphenyl)benzene-1,2,4-triamine is sourced from PubChem (CID 106750723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).