1-(3-methoxyphenyl)-2-phenyl-3-(2,4,6-trimethylanilino)propan-1-ol

C25H29NO2 — CID 132539906

IUPAC1-(3-methoxyphenyl)-2-phenyl-3-(2,4,6-trimethylanilino)propan-1-ol
SMILESCOc1cccc(C(O)C(CNc2c(C)cc(C)cc2C)c2ccccc2)c1
InChIInChI=1S/C25H29NO2/c1-17-13-18(2)24(19(3)14-17)26-16-23(20-9-6-5-7-10-20)25(27)21-11-8-12-22(15-21)28-4/h5-15,23,25-27H,16H2,1-4H3
InChIKeyUIAJJYIHNBUAGA-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.55
Rot. Bonds7

About 1-(3-methoxyphenyl)-2-phenyl-3-(2,4,6-trimethylanilino)propan-1-ol

1-(3-methoxyphenyl)-2-phenyl-3-(2,4,6-trimethylanilino)propan-1-ol (PubChem CID 132539906) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-phenyl-3-(2,4,6-trimethylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-phenyl-3-(2,4,6-trimethylanilino)propan-1-ol
PubChem CID132539906
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name1-(3-methoxyphenyl)-2-phenyl-3-(2,4,6-trimethylanilino)propan-1-ol
SMILESCOc1cccc(C(O)C(CNc2c(C)cc(C)cc2C)c2ccccc2)c1
InChIInChI=1S/C25H29NO2/c1-17-13-18(2)24(19(3)14-17)26-16-23(20-9-6-5-7-10-20)25(27)21-11-8-12-22(15-21)28-4/h5-15,23,25-27H,16H2,1-4H3
InChIKeyUIAJJYIHNBUAGA-UHFFFAOYSA-N
XLogP5.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-methoxyphenyl)-2-(2-methylphenyl)propan-1-ol
CID 65186124
2,4,6-trimethyl-N-(2-phenylpropyl)aniline
CID 55192336
1-(3-methoxyphenyl)-2-(methylamino)propan-1-ol
CID 82281926
1-(3-methoxyphenyl)butane-1,2,4-triol
CID 171871929
2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 82141396
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylanilino)propan-1-ol
CID 132539911
2-(3-bromo-5-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 107583297
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 110663391
3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol
CID 175226142
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
CID 65185753

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-phenyl-3-(2,4,6-trimethylanilino)propan-1-ol?
The IUPAC name of 1-(3-methoxyphenyl)-2-phenyl-3-(2,4,6-trimethylanilino)propan-1-ol (CID 132539906) is 1-(3-methoxyphenyl)-2-phenyl-3-(2,4,6-trimethylanilino)propan-1-ol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-phenyl-3-(2,4,6-trimethylanilino)propan-1-ol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-phenyl-3-(2,4,6-trimethylanilino)propan-1-ol is COc1cccc(C(O)C(CNc2c(C)cc(C)cc2C)c2ccccc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-phenyl-3-(2,4,6-trimethylanilino)propan-1-ol?
The InChIKey is UIAJJYIHNBUAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-17-13-18(2)24(19(3)14-17)26-16-23(20-9-6-5-7-10-20)25(27)21-11-8-12-22(15-21)28-4/h5-15,23,25-27H,16H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-2-phenyl-3-(2,4,6-trimethylanilino)propan-1-ol?
1-(3-methoxyphenyl)-2-phenyl-3-(2,4,6-trimethylanilino)propan-1-ol has a molecular weight of 375.51 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-phenyl-3-(2,4,6-trimethylanilino)propan-1-ol is sourced from PubChem (CID 132539906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).