2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol

C30H31NO — CID 67361149

IUPAC2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol
SMILESCc1ccc(N(c2ccc(-c3ccc(CCO)cc3)cc2)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C30H31NO/c1-21-5-16-30(24(4)19-21)31(29-13-6-22(2)23(3)20-29)28-14-11-27(12-15-28)26-9-7-25(8-10-26)17-18-32/h5-16,19-20,32H,17-18H2,1-4H3
InChIKeyMQBLMYAYCOMUMU-UHFFFAOYSA-N
MW421.58 g/mol
LogP7.59
Rot. Bonds6

About 2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol

2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol (PubChem CID 67361149) has the molecular formula C30H31NO and a molecular weight of 421.58 g/mol. Its IUPAC name is 2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol
PubChem CID67361149
Molecular FormulaC30H31NO
Molecular Weight421.58 g/mol
Exact Mass421.24
IUPAC Name2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol
SMILESCc1ccc(N(c2ccc(-c3ccc(CCO)cc3)cc2)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C30H31NO/c1-21-5-16-30(24(4)19-21)31(29-13-6-22(2)23(3)20-29)28-14-11-27(12-15-28)26-9-7-25(8-10-26)17-18-32/h5-16,19-20,32H,17-18H2,1-4H3
InChIKeyMQBLMYAYCOMUMU-UHFFFAOYSA-N
XLogP7.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.58
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(N-(3,4-dimethylphenyl)-4-ethylanilino)-3-methylphenyl]-2-methylphenyl]-N-(4-ethylphenyl)-3,4-dimethylaniline
CID 20617990
N-(3,4-dimethylphenyl)-N-[4-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)-3-methylphenyl]-2-methylphenyl]-3,4-dimethylaniline
CID 18381200
2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol
CID 20580118
N-[4-[4-[N-(2,4-dimethylphenyl)-4-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-N,2,4-trimethylaniline
CID 23594446
N-[4-[4-[6-[4-[4-(2,4-dimethyl-N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]-N-(3,4-dimethylphenyl)naphthalen-1-amine;N-(2,4-dimethylphenyl)-N-[4-[4-[6-[4-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]-2,4-dimethylaniline
CID 160901094
N-[4-[3-methoxy-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2-methylphenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 71277282
4-[4-[2-(3,5-dimethylphenyl)ethenyl]-N-(3-methylphenyl)anilino]phenol;2-[4-(N-[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]ethanol;[4-(N-[4-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)-3-methylphenyl]-2-methylphenyl]-4-methylanilino)phenyl]methanol;[4-(N-[4-[4-(N-[4-(hydroxymethyl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylanilino)phenyl]methanol
CID 159568849
N-(2,4-dimethylphenyl)-N-(4-hexylphenyl)-2,4-dimethylaniline
CID 101458164
[4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol
CID 20580195
[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
CID 54528653
N-[4-[4-(4-fluoro-N-methylanilino)phenyl]phenyl]-2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]aniline;N-[4-[4-(4-fluoro-N-methylanilino)phenyl]phenyl]-3,4-dimethyl-N-[4-(4-methylphenyl)phenyl]aniline;N-[4-[4-(4-fluoro-N-methylanilino)phenyl]phenyl]-4-methyl-N-[4-(4-methylphenyl)phenyl]aniline;4-methyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-[N-methyl-4-(trifluoromethyl)anilino]phenyl]phenyl]aniline
CID 159616111
4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol
CID 67358855

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol?
The IUPAC name of 2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol (CID 67361149) is 2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol is Cc1ccc(N(c2ccc(-c3ccc(CCO)cc3)cc2)c2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of 2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol?
The InChIKey is MQBLMYAYCOMUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO/c1-21-5-16-30(24(4)19-21)31(29-13-6-22(2)23(3)20-29)28-14-11-27(12-15-28)26-9-7-25(8-10-26)17-18-32/h5-16,19-20,32H,17-18H2,1-4H3.
What are the key properties of 2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol?
2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol has a molecular weight of 421.58 g/mol, XLogP of 7.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(N-(2,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]phenyl]ethanol is sourced from PubChem (CID 67361149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).