4-methyl-N,N-bis(4-methylphenyl)aniline;phenol

C33H33NO2 — CID 70600913

IUPAC4-methyl-N,N-bis(4-methylphenyl)aniline;phenol
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C21H21N.2C6H6O/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;2*7-6-4-2-1-3-5-6/h4-15H,1-3H3;2*1-5,7H
InChIKeyOZWHXLPYOBFVFL-UHFFFAOYSA-N
MW475.63 g/mol
LogP8.87
Rot. Bonds3

About 4-methyl-N,N-bis(4-methylphenyl)aniline;phenol

4-methyl-N,N-bis(4-methylphenyl)aniline;phenol (PubChem CID 70600913) has the molecular formula C33H33NO2 and a molecular weight of 475.63 g/mol. Its IUPAC name is 4-methyl-N,N-bis(4-methylphenyl)aniline;phenol.

Molecular Properties

Compound Name4-methyl-N,N-bis(4-methylphenyl)aniline;phenol
PubChem CID70600913
Molecular FormulaC33H33NO2
Molecular Weight475.63 g/mol
Exact Mass475.25
IUPAC Name4-methyl-N,N-bis(4-methylphenyl)aniline;phenol
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C21H21N.2C6H6O/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;2*7-6-4-2-1-3-5-6/h4-15H,1-3H3;2*1-5,7H
InChIKeyOZWHXLPYOBFVFL-UHFFFAOYSA-N
XLogP8.87
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 58.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenol
CID 20686206
ethane;3-(N-(4-methylphenyl)anilino)phenol
CID 144899078
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
phenol;toluene;dihydrochloride
CID 174548899
ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
CID 143762169
phenol;toluene;hydrate
CID 130237707
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-bis(4-methylphenyl)aniline;phenol?
The IUPAC name of 4-methyl-N,N-bis(4-methylphenyl)aniline;phenol (CID 70600913) is 4-methyl-N,N-bis(4-methylphenyl)aniline;phenol.
What is the SMILES notation for 4-methyl-N,N-bis(4-methylphenyl)aniline;phenol?
The canonical SMILES for 4-methyl-N,N-bis(4-methylphenyl)aniline;phenol is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of 4-methyl-N,N-bis(4-methylphenyl)aniline;phenol?
The InChIKey is OZWHXLPYOBFVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N.2C6H6O/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;2*7-6-4-2-1-3-5-6/h4-15H,1-3H3;2*1-5,7H.
What are the key properties of 4-methyl-N,N-bis(4-methylphenyl)aniline;phenol?
4-methyl-N,N-bis(4-methylphenyl)aniline;phenol has a molecular weight of 475.63 g/mol, XLogP of 8.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-bis(4-methylphenyl)aniline;phenol is sourced from PubChem (CID 70600913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).