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

C24H27NO2 — CID 20580129

IUPAC2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol
SMILESCc1ccc(N(c2ccc(OCCO)cc2)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C24H27NO2/c1-17-5-7-22(15-19(17)3)25(23-8-6-18(2)20(4)16-23)21-9-11-24(12-10-21)27-14-13-26/h5-12,15-16,26H,13-14H2,1-4H3
InChIKeyWHETXEGUKAFXHL-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.76
Rot. Bonds6

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

2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol (PubChem CID 20580129) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol
PubChem CID20580129
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol
SMILESCc1ccc(N(c2ccc(OCCO)cc2)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C24H27NO2/c1-17-5-7-22(15-19(17)3)25(23-8-6-18(2)20(4)16-23)21-9-11-24(12-10-21)27-14-13-26/h5-12,15-16,26H,13-14H2,1-4H3
InChIKeyWHETXEGUKAFXHL-UHFFFAOYSA-N
XLogP5.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,4-dimethylphenyl)phenoxy]ethanol
CID 82117712
N-(3,4-dimethylphenyl)-N-[4-[4-[2-(N-ethylanilino)ethoxy]phenyl]phenyl]-3,4-dimethylaniline
CID 21019332
[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
CID 54528653
N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 71277268
[4-[N-(3,4-dimethylphenyl)-4-[10-[4-[N-(3,4-dimethylphenyl)-4-(prop-2-enoyloxymethyl)anilino]phenoxy]decoxy]anilino]phenyl]methyl prop-2-enoate
CID 58937618
2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol
CID 61074623
CID 162335780
CID 162335780
N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
CID 143481987
N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 118245572
N-[4-[4-[N-(3,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenoxy]phenyl]-N,3,4-trimethylaniline
CID 23593145
4-[1-[4-(N-(3,4-dimethylphenyl)anilino)phenoxy]-2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 20580185
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047

Frequently Asked Questions

What is the IUPAC name of 2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol?
The IUPAC name of 2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol (CID 20580129) is 2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol.
What is the SMILES notation for 2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol?
The canonical SMILES for 2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol is Cc1ccc(N(c2ccc(OCCO)cc2)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol?
The InChIKey is WHETXEGUKAFXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-17-5-7-22(15-19(17)3)25(23-8-6-18(2)20(4)16-23)21-9-11-24(12-10-21)27-14-13-26/h5-12,15-16,26H,13-14H2,1-4H3.
What are the key properties of 2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol?
2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol has a molecular weight of 361.49 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol is sourced from PubChem (CID 20580129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).