1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol

C17H21NO2 — CID 62375669

IUPAC1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol
SMILESCC(O)(CNCC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-17(20,15-10-6-3-7-11-15)13-18-12-16(19)14-8-4-2-5-9-14/h2-11,16,18-20H,12-13H2,1H3
InChIKeySQXSGVCQQORSOU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.22
Rot. Bonds6

About 1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol

1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol (PubChem CID 62375669) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol
PubChem CID62375669
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol
SMILESCC(O)(CNCC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-17(20,15-10-6-3-7-11-15)13-18-12-16(19)14-8-4-2-5-9-14/h2-11,16,18-20H,12-13H2,1H3
InChIKeySQXSGVCQQORSOU-UHFFFAOYSA-N
XLogP2.22
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol
CID 106435302
3-[[(2-hydroxy-2-phenylethyl)amino]methyl]pentan-3-ol
CID 65111204
1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol
CID 107151998
(1S,3R)-1,3-diphenylbutane-1,3-diol
CID 13113333
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
(1R)-2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-1-phenylethanol
CID 2115118
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
CID 63901679
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
(1S)-1-phenyl-2-(tritylamino)ethanol
CID 69267924

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol (CID 62375669) is 1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol is CC(O)(CNCC(O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol?
The InChIKey is SQXSGVCQQORSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(20,15-10-6-3-7-11-15)13-18-12-16(19)14-8-4-2-5-9-14/h2-11,16,18-20H,12-13H2,1H3.
What are the key properties of 1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol?
1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol is sourced from PubChem (CID 62375669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).