1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine

C22H24N2O2 — CID 139791472

IUPAC1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
SMILESCCOc1ccc(Nc2ccc(Nc3ccc(OCC)cc3)cc2)cc1
InChIInChI=1S/C22H24N2O2/c1-3-25-21-13-9-19(10-14-21)23-17-5-7-18(8-6-17)24-20-11-15-22(16-12-20)26-4-2/h5-16,23-24H,3-4H2,1-2H3
InChIKeyAOAWKSHFGOWQHR-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.97
Rot. Bonds8

About 1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine

1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine (PubChem CID 139791472) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
PubChem CID139791472
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
SMILESCCOc1ccc(Nc2ccc(Nc3ccc(OCC)cc3)cc2)cc1
InChIInChI=1S/C22H24N2O2/c1-3-25-21-13-9-19(10-14-21)23-17-5-7-18(8-6-17)24-20-11-15-22(16-12-20)26-4-2/h5-16,23-24H,3-4H2,1-2H3
InChIKeyAOAWKSHFGOWQHR-UHFFFAOYSA-N
XLogP5.97
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-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

N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide
CID 112987701
4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
4-(4-ethoxyanilino)benzene-1,2-dicarbonitrile
CID 139772534
N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide
CID 19795365
4-(4-ethoxyphenyl)-N-methylaniline
CID 83643476
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide
CID 113034324
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine
CID 43426956
N-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 677157
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine (CID 139791472) is 1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine is CCOc1ccc(Nc2ccc(Nc3ccc(OCC)cc3)cc2)cc1.
What is the InChIKey of 1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine?
The InChIKey is AOAWKSHFGOWQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-25-21-13-9-19(10-14-21)23-17-5-7-18(8-6-17)24-20-11-15-22(16-12-20)26-4-2/h5-16,23-24H,3-4H2,1-2H3.
What are the key properties of 1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine?
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine has a molecular weight of 348.45 g/mol, XLogP of 5.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine is sourced from PubChem (CID 139791472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).