2-[4-(2-ethoxyanilino)anilino]phenol

C20H20N2O2 — CID 139619306

IUPAC2-[4-(2-ethoxyanilino)anilino]phenol
SMILESCCOc1ccccc1Nc1ccc(Nc2ccccc2O)cc1
InChIInChI=1S/C20H20N2O2/c1-2-24-20-10-6-4-8-18(20)22-16-13-11-15(12-14-16)21-17-7-3-5-9-19(17)23/h3-14,21-23H,2H2,1H3
InChIKeyWGALHUXTCYJWMM-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.28
Rot. Bonds6

About 2-[4-(2-ethoxyanilino)anilino]phenol

2-[4-(2-ethoxyanilino)anilino]phenol (PubChem CID 139619306) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[4-(2-ethoxyanilino)anilino]phenol.

Molecular Properties

Compound Name2-[4-(2-ethoxyanilino)anilino]phenol
PubChem CID139619306
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[4-(2-ethoxyanilino)anilino]phenol
SMILESCCOc1ccccc1Nc1ccc(Nc2ccccc2O)cc1
InChIInChI=1S/C20H20N2O2/c1-2-24-20-10-6-4-8-18(20)22-16-13-11-15(12-14-16)21-17-7-3-5-9-19(17)23/h3-14,21-23H,2H2,1H3
InChIKeyWGALHUXTCYJWMM-UHFFFAOYSA-N
XLogP5.28
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-hydroxyanilino)anilino]phenol
CID 67211974
2-ethoxy-N-(4-nitrophenyl)aniline
CID 4763832
2-amino-5-(2-ethoxyanilino)benzamide
CID 61305584
2-(2-ethoxyanilino)benzoic acid
CID 726510
N-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987589
3-(2-ethoxyanilino)-4-hydroxycyclobut-3-ene-1,2-dione
CID 20950471
5-(2-ethoxyanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197177
N-(2-ethoxyphenyl)methanethioamide
CID 88853700
N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide
CID 113034304
1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
CID 23938189
3-(2-ethoxyanilino)-4-(2-hydroxy-4-isocyanoanilino)cyclobut-3-ene-1,2-dione
CID 59068196
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyanilino)anilino]phenol?
The IUPAC name of 2-[4-(2-ethoxyanilino)anilino]phenol (CID 139619306) is 2-[4-(2-ethoxyanilino)anilino]phenol.
What is the SMILES notation for 2-[4-(2-ethoxyanilino)anilino]phenol?
The canonical SMILES for 2-[4-(2-ethoxyanilino)anilino]phenol is CCOc1ccccc1Nc1ccc(Nc2ccccc2O)cc1.
What is the InChIKey of 2-[4-(2-ethoxyanilino)anilino]phenol?
The InChIKey is WGALHUXTCYJWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-24-20-10-6-4-8-18(20)22-16-13-11-15(12-14-16)21-17-7-3-5-9-19(17)23/h3-14,21-23H,2H2,1H3.
What are the key properties of 2-[4-(2-ethoxyanilino)anilino]phenol?
2-[4-(2-ethoxyanilino)anilino]phenol has a molecular weight of 320.39 g/mol, XLogP of 5.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyanilino)anilino]phenol is sourced from PubChem (CID 139619306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).