2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol

C28H35NO3 — CID 13210134

IUPAC2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol
SMILESCNC(Cc1ccccc1)C(O)(c1ccccc1OC(C)C)c1ccccc1OC(C)C
InChIInChI=1S/C28H35NO3/c1-20(2)31-25-17-11-9-15-23(25)28(30,24-16-10-12-18-26(24)32-21(3)4)27(29-5)19-22-13-7-6-8-14-22/h6-18,20-21,27,29-30H,19H2,1-5H3
InChIKeyOSEQCGBFFSSLIX-UHFFFAOYSA-N
MW433.59 g/mol
LogP5.33
Rot. Bonds10

About 2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol

2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol (PubChem CID 13210134) has the molecular formula C28H35NO3 and a molecular weight of 433.59 g/mol. Its IUPAC name is 2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol
PubChem CID13210134
Molecular FormulaC28H35NO3
Molecular Weight433.59 g/mol
Exact Mass433.26
IUPAC Name2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol
SMILESCNC(Cc1ccccc1)C(O)(c1ccccc1OC(C)C)c1ccccc1OC(C)C
InChIInChI=1S/C28H35NO3/c1-20(2)31-25-17-11-9-15-23(25)28(30,24-16-10-12-18-26(24)32-21(3)4)27(29-5)19-22-13-7-6-8-14-22/h6-18,20-21,27,29-30H,19H2,1-5H3
InChIKeyOSEQCGBFFSSLIX-UHFFFAOYSA-N
XLogP5.33
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.59
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol
CID 70633857
2,6-dimethyl-4-(2-propan-2-yloxyphenyl)heptan-4-ol
CID 114865145
[2-phenyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105195296
3-ethyl-3-methoxy-N-methyl-1-phenylpentan-2-amine
CID 116760798
2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol
CID 10999932
3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine
CID 116759829
N-methyl-1-phenylpropan-2-amine
CID 118309477
1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol
CID 113490178
4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol
CID 156764380
2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
CID 39246107
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
propan-2-yl (2S)-2-(methylamino)-3-phenylpropanoate
CID 54240932

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol?
The IUPAC name of 2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol (CID 13210134) is 2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol?
The canonical SMILES for 2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol is CNC(Cc1ccccc1)C(O)(c1ccccc1OC(C)C)c1ccccc1OC(C)C.
What is the InChIKey of 2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol?
The InChIKey is OSEQCGBFFSSLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO3/c1-20(2)31-25-17-11-9-15-23(25)28(30,24-16-10-12-18-26(24)32-21(3)4)27(29-5)19-22-13-7-6-8-14-22/h6-18,20-21,27,29-30H,19H2,1-5H3.
What are the key properties of 2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol?
2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol has a molecular weight of 433.59 g/mol, XLogP of 5.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol is sourced from PubChem (CID 13210134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).