2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol

C28H27NO2 — CID 142761878

IUPAC2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol
SMILESOC(CNCC(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27NO2/c30-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-29-22-28(31,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,29-31H,21-22H2
InChIKeyFHDDVHZKUVVPRI-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.45
Rot. Bonds8

About 2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol

2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol (PubChem CID 142761878) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol.

Molecular Properties

Compound Name2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol
PubChem CID142761878
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol
SMILESOC(CNCC(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27NO2/c30-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-29-22-28(31,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,29-31H,21-22H2
InChIKeyFHDDVHZKUVVPRI-UHFFFAOYSA-N
XLogP4.45
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol
CID 2768826
(1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 1470738
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol
CID 3844999
2-iodo-1,1-diphenylethanol
CID 11738821
(1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol
CID 7036964
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 75176308
2-(4-methoxyanilino)-1,1-diphenylethanol
CID 101160453
2,3-dimethyl-1-[(2-methyl-2-phenylpropyl)amino]butan-2-ol
CID 115899639
(3R)-3-(methylamino)-1,1-diphenylbutan-1-ol
CID 129362138
(1R)-1-(4-fluorophenyl)-2-[(3-methoxyphenyl)methylamino]-1-phenylethanol
CID 1470711
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol
CID 174399635

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol?
The IUPAC name of 2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol (CID 142761878) is 2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol.
What is the SMILES notation for 2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol?
The canonical SMILES for 2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol is OC(CNCC(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol?
The InChIKey is FHDDVHZKUVVPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c30-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-29-22-28(31,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,29-31H,21-22H2.
What are the key properties of 2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol?
2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol has a molecular weight of 409.53 g/mol, XLogP of 4.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2,2-diphenylethyl)amino]-1,1-diphenylethanol is sourced from PubChem (CID 142761878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).