4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol

C20H22N2O — CID 155250845

IUPAC4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol
SMILESCN(C)c1ccc(N)cc1.Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10O.C8H12N2/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-10(2)8-5-3-7(9)4-6-8/h1-9,13H;3-6H,9H2,1-2H3
InChIKeyXDQQGEQKDPOSTH-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.39
Rot. Bonds2

About 4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol

4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol (PubChem CID 155250845) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol.

Molecular Properties

Compound Name4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol
PubChem CID155250845
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol
SMILESCN(C)c1ccc(N)cc1.Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10O.C8H12N2/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-10(2)8-5-3-7(9)4-6-8/h1-9,13H;3-6H,9H2,1-2H3
InChIKeyXDQQGEQKDPOSTH-UHFFFAOYSA-N
XLogP4.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenyl)aniline;phenol
CID 159428015
4-[4-(N-methylanilino)phenyl]aniline
CID 21015508
4-(N-[4-(dimethylamino)phenyl]anilino)phenol
CID 57152032
4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline
CID 139760283
aniline;1,1'-biphenyl;phenol;hydroiodide
CID 172679592
3-[4-(dimethylamino)phenyl]phenol
CID 39231657
aniline;benzene;benzene-1,4-diol
CID 175585204
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
4-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 18421146
4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 22944349
N'-(4-aminophenyl)-N-(4-hydroxyphenyl)-N-methyl-N'-phenyloxamide
CID 108525377
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol?
The IUPAC name of 4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol (CID 155250845) is 4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol.
What is the SMILES notation for 4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol?
The canonical SMILES for 4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol is CN(C)c1ccc(N)cc1.Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol?
The InChIKey is XDQQGEQKDPOSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C8H12N2/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-10(2)8-5-3-7(9)4-6-8/h1-9,13H;3-6H,9H2,1-2H3.
What are the key properties of 4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol?
4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol has a molecular weight of 306.41 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol is sourced from PubChem (CID 155250845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).