5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol

C21H21NO2 — CID 170298628

IUPAC5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol
SMILESCc1ccc(N(c2ccc(C)c(O)c2)c2ccc(C)c(O)c2)cc1
InChIInChI=1S/C21H21NO2/c1-14-4-8-17(9-5-14)22(18-10-6-15(2)20(23)12-18)19-11-7-16(3)21(24)13-19/h4-13,23-24H,1-3H3
InChIKeyRUSVDNRTCYCARS-UHFFFAOYSA-N
MW319.40 g/mol
LogP5.49
Rot. Bonds3

About 5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol

5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol (PubChem CID 170298628) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol.

Molecular Properties

Compound Name5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol
PubChem CID170298628
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol
SMILESCc1ccc(N(c2ccc(C)c(O)c2)c2ccc(C)c(O)c2)cc1
InChIInChI=1S/C21H21NO2/c1-14-4-8-17(9-5-14)22(18-10-6-15(2)20(23)12-18)19-11-7-16(3)21(24)13-19/h4-13,23-24H,1-3H3
InChIKeyRUSVDNRTCYCARS-UHFFFAOYSA-N
XLogP5.49
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
CID 143481987
ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
CID 143762169
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
2-[3-(3-hydroxy-N-(3-hydroxy-4-methylphenyl)-4-methylanilino)phenoxy]-5-methylphenol
CID 101332185
2,5-dimethylphenol;ethane
CID 143419778
2,5-dimethylphenol;samarium
CID 87732062
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
2,5-dimethylphenol;4-methylphenol
CID 67649093
N-[4-[2-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 123191031
N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 71277268
1-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]-1-N-[4-[N-(2,4,6-trimethylphenyl)-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)anilino]phenyl]-4-N-[4-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-N-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]anilino]phenyl]benzene-1,4-diamine
CID 59426653
4-methyl-N,N-bis(4-methylphenyl)aniline;phenol
CID 70600913

Frequently Asked Questions

What is the IUPAC name of 5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol?
The IUPAC name of 5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol (CID 170298628) is 5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol.
What is the SMILES notation for 5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol?
The canonical SMILES for 5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol is Cc1ccc(N(c2ccc(C)c(O)c2)c2ccc(C)c(O)c2)cc1.
What is the InChIKey of 5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol?
The InChIKey is RUSVDNRTCYCARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-14-4-8-17(9-5-14)22(18-10-6-15(2)20(23)12-18)19-11-7-16(3)21(24)13-19/h4-13,23-24H,1-3H3.
What are the key properties of 5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol?
5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol has a molecular weight of 319.40 g/mol, XLogP of 5.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol is sourced from PubChem (CID 170298628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).