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

C14H17N3O — CID 106750281

IUPAC4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
SMILESCCOc1ccc(Nc2ccc(N)c(N)c2)cc1
InChIInChI=1S/C14H17N3O/c1-2-18-12-6-3-10(4-7-12)17-11-5-8-13(15)14(16)9-11/h3-9,17H,2,15-16H2,1H3
InChIKeyUYYCEKYQCXMQHF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.99
Rot. Bonds4

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

4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine (PubChem CID 106750281) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
PubChem CID106750281
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
SMILESCCOc1ccc(Nc2ccc(N)c(N)c2)cc1
InChIInChI=1S/C14H17N3O/c1-2-18-12-6-3-10(4-7-12)17-11-5-8-13(15)14(16)9-11/h3-9,17H,2,15-16H2,1H3
InChIKeyUYYCEKYQCXMQHF-UHFFFAOYSA-N
XLogP2.99
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-propoxyphenyl)benzene-1,2,4-triamine
CID 106750723
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
2-amino-4-(4-ethoxyanilino)benzoic acid
CID 104500077
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 29066421
4-N-(3,5-dimethylphenyl)-2-ethoxybenzene-1,4-diamine
CID 55232144
4-(4-ethoxyanilino)benzene-1,2-dicarbonitrile
CID 139772534
5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine
CID 80723582
2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020765
5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 114404993
4-N-(4-anilinophenyl)benzene-1,2,4-triamine
CID 57184309
4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436266

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine?
The IUPAC name of 4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine (CID 106750281) is 4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine?
The canonical SMILES for 4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine is CCOc1ccc(Nc2ccc(N)c(N)c2)cc1.
What is the InChIKey of 4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine?
The InChIKey is UYYCEKYQCXMQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-18-12-6-3-10(4-7-12)17-11-5-8-13(15)14(16)9-11/h3-9,17H,2,15-16H2,1H3.
What are the key properties of 4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine?
4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine has a molecular weight of 243.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine is sourced from PubChem (CID 106750281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).