1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol

C23H25NO3 — CID 70603684

IUPAC1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(Oc2ccc(C)cc2)c(Oc2ccc(C)cc2)c1
InChIInChI=1S/C23H25NO3/c1-16-4-9-19(10-5-16)26-22-13-8-18(21(25)15-24-3)14-23(22)27-20-11-6-17(2)7-12-20/h4-14,21,24-25H,15H2,1-3H3
InChIKeyTVAVGPRVFNOGAJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.14
Rot. Bonds7

About 1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol

1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol (PubChem CID 70603684) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol
PubChem CID70603684
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(Oc2ccc(C)cc2)c(Oc2ccc(C)cc2)c1
InChIInChI=1S/C23H25NO3/c1-16-4-9-19(10-5-16)26-22-13-8-18(21(25)15-24-3)14-23(22)27-20-11-6-17(2)7-12-20/h4-14,21,24-25H,15H2,1-3H3
InChIKeyTVAVGPRVFNOGAJ-UHFFFAOYSA-N
XLogP5.14
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-hydroxy-2-(methylamino)ethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 13080818
[5-[1-hydroxy-2-(methylamino)ethyl]-2-(4-methylphenoxy)phenyl]methyl 4,4-dimethylpentanoate
CID 54068018
[5-[2-(tert-butylamino)-1-hydroxyethyl]-2-(4-methylphenoxy)phenyl] 3-methylbutanoate;hydrochloride
CID 70551778
1-(4-bromo-3-methoxyphenyl)-2-(methylamino)ethanol
CID 83734466
2-[2-(carboxymethoxy)-4-[1-hydroxy-2-(methylamino)ethyl]phenoxy]acetic acid
CID 70059281
[2-(2,2-dichloroacetyl)oxy-4-[1-hydroxy-2-(methylamino)ethyl]phenyl] 2,2-dichloroacetate
CID 134501095
[4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate
CID 163203538
1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol
CID 117333852
2-amino-1-[4-(2,4-dimethylphenoxy)phenyl]ethanol
CID 82044821
4-(methylamino)-1-(4-methylphenyl)butan-1-ol
CID 23009156
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71478438
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrate
CID 18674898

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol (CID 70603684) is 1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol is CNCC(O)c1ccc(Oc2ccc(C)cc2)c(Oc2ccc(C)cc2)c1.
What is the InChIKey of 1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol?
The InChIKey is TVAVGPRVFNOGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-16-4-9-19(10-5-16)26-22-13-8-18(21(25)15-24-3)14-23(22)27-20-11-6-17(2)7-12-20/h4-14,21,24-25H,15H2,1-3H3.
What are the key properties of 1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol?
1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol has a molecular weight of 363.46 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 70603684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).