[4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol

C22H23NO — CID 20580195

IUPAC[4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol
SMILESCc1ccc(N(c2ccccc2)c2ccc(CO)c(C)c2)c(C)c1
InChIInChI=1S/C22H23NO/c1-16-9-12-22(18(3)13-16)23(20-7-5-4-6-8-20)21-11-10-19(15-24)17(2)14-21/h4-14,24H,15H2,1-3H3
InChIKeyTYCLIFCUZBXQKY-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.57
Rot. Bonds4

About [4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol

[4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol (PubChem CID 20580195) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is [4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol
PubChem CID20580195
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name[4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol
SMILESCc1ccc(N(c2ccccc2)c2ccc(CO)c(C)c2)c(C)c1
InChIInChI=1S/C22H23NO/c1-16-9-12-22(18(3)13-16)23(20-7-5-4-6-8-20)21-11-10-19(15-24)17(2)14-21/h4-14,24H,15H2,1-3H3
InChIKeyTYCLIFCUZBXQKY-UHFFFAOYSA-N
XLogP5.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 54226446
N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
CID 86720787
[4-[N-[4-(hydroxymethyl)-3-methylphenyl]-4-[4-(N-[4-(hydroxymethyl)-3-methylphenyl]-4-methylanilino)phenyl]anilino]phenyl]methanol
CID 59392122
N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline
CID 146251465
[2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
CID 155273417
2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 91550926
[4-[N-(3,4-dimethylphenyl)-4-(hydroxymethyl)anilino]phenyl]methanol;[4-[4-[4-[4-(hydroxymethyl)-N-[4-(hydroxymethyl)-3-methylphenyl]anilino]phenyl]-N-[4-(hydroxymethyl)-3-methylphenyl]anilino]phenyl]methanol;[4-[4-(hydroxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methanol;3-(N-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]anilino)phenol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol
CID 162220558
2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol
CID 67361149
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline
CID 118601843
N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline
CID 58038455
1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine
CID 11813371

Frequently Asked Questions

What is the IUPAC name of [4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol?
The IUPAC name of [4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol (CID 20580195) is [4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol.
What is the SMILES notation for [4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol?
The canonical SMILES for [4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol is Cc1ccc(N(c2ccccc2)c2ccc(CO)c(C)c2)c(C)c1.
What is the InChIKey of [4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol?
The InChIKey is TYCLIFCUZBXQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-16-9-12-22(18(3)13-16)23(20-7-5-4-6-8-20)21-11-10-19(15-24)17(2)14-21/h4-14,24H,15H2,1-3H3.
What are the key properties of [4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol?
[4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol has a molecular weight of 317.43 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol is sourced from PubChem (CID 20580195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).