(1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol

C21H21NO2 — CID 11174608

IUPAC(1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol
SMILESCOc1ccccc1N[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C21H21NO2/c1-24-19-15-9-8-14-18(19)22-20(16-10-4-2-5-11-16)21(23)17-12-6-3-7-13-17/h2-15,20-23H,1H3/t20-,21-/m1/s1
InChIKeyDYPKEHBSWJHBRQ-NHCUHLMSSA-N
MW319.40 g/mol
LogP4.58
Rot. Bonds6

About (1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol

(1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol (PubChem CID 11174608) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is (1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol.

Molecular Properties

Compound Name(1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol
PubChem CID11174608
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name(1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol
SMILESCOc1ccccc1N[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C21H21NO2/c1-24-19-15-9-8-14-18(19)22-20(16-10-4-2-5-11-16)21(23)17-12-6-3-7-13-17/h2-15,20-23H,1H3/t20-,21-/m1/s1
InChIKeyDYPKEHBSWJHBRQ-NHCUHLMSSA-N
XLogP4.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate
CID 101189874
(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol
CID 102584488
(2S)-2-(2-methoxyanilino)-2-phenylacetate
CID 7148257
2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol
CID 101146915
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
3-(2-methoxyanilino)-1-phenylpropan-1-ol
CID 112510625
3-hydroxy-4-(2-methoxyanilino)-4-(4-nitrophenyl)butan-2-one
CID 102188855
2-methoxy-4-methyl-N-(2-methyl-1-phenylpropyl)aniline
CID 60930849
3-(2-methoxyanilino)-3-phenylpropanenitrile
CID 62778351
(2S)-2-(2-methoxyanilino)-3-methylbutanoic acid
CID 15383895
(2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide
CID 41012863
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol?
The IUPAC name of (1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol (CID 11174608) is (1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol.
What is the SMILES notation for (1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol?
The canonical SMILES for (1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol is COc1ccccc1N[C@H](c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol?
The InChIKey is DYPKEHBSWJHBRQ-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H21NO2/c1-24-19-15-9-8-14-18(19)22-20(16-10-4-2-5-11-16)21(23)17-12-6-3-7-13-17/h2-15,20-23H,1H3/t20-,21-/m1/s1.
What are the key properties of (1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol?
(1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol has a molecular weight of 319.40 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol is sourced from PubChem (CID 11174608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).