(1S,2S)-2-anilino-1,2-diphenylethanol

C20H19NO — CID 1236280

IUPAC(1S,2S)-2-anilino-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21-18-14-8-3-9-15-18/h1-15,19-22H/t19-,20-/m0/s1
InChIKeyYSXHSIGXGNGIRZ-PMACEKPBSA-N
MW289.38 g/mol
LogP4.57
Rot. Bonds5

About (1S,2S)-2-anilino-1,2-diphenylethanol

(1S,2S)-2-anilino-1,2-diphenylethanol (PubChem CID 1236280) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is (1S,2S)-2-anilino-1,2-diphenylethanol.

Molecular Properties

Compound Name(1S,2S)-2-anilino-1,2-diphenylethanol
PubChem CID1236280
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name(1S,2S)-2-anilino-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C20H19NO/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21-18-14-8-3-9-15-18/h1-15,19-22H/t19-,20-/m0/s1
InChIKeyYSXHSIGXGNGIRZ-PMACEKPBSA-N
XLogP4.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol
CID 102584488
(1S,2S)-1-anilino-1-phenylpropan-2-ol
CID 166445226
2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol
CID 101146915
1,2-diphenylethane-1,2-diol
CID 159073808
(2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one
CID 11056163
2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
CID 14093660
(1R,2S,3S)-3-(4-methoxyanilino)-2-methyl-1,3-diphenylpropan-1-ol
CID 101373003
(1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol
CID 11174608
3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol
CID 14391185
(1S,2S)-2-[(4-bromonaphthalen-1-yl)amino]-1,2-diphenylethanol
CID 11582463
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
2-[anilino(phenyl)methyl]-3-oxobutanoic acid
CID 57120250

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-anilino-1,2-diphenylethanol?
The IUPAC name of (1S,2S)-2-anilino-1,2-diphenylethanol (CID 1236280) is (1S,2S)-2-anilino-1,2-diphenylethanol.
What is the SMILES notation for (1S,2S)-2-anilino-1,2-diphenylethanol?
The canonical SMILES for (1S,2S)-2-anilino-1,2-diphenylethanol is O[C@@H](c1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2S)-2-anilino-1,2-diphenylethanol?
The InChIKey is YSXHSIGXGNGIRZ-PMACEKPBSA-N. The full InChI is InChI=1S/C20H19NO/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21-18-14-8-3-9-15-18/h1-15,19-22H/t19-,20-/m0/s1.
What are the key properties of (1S,2S)-2-anilino-1,2-diphenylethanol?
(1S,2S)-2-anilino-1,2-diphenylethanol has a molecular weight of 289.38 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-anilino-1,2-diphenylethanol is sourced from PubChem (CID 1236280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).