(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol

C21H21NO2 — CID 102584488

IUPAC(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol
SMILESCOc1ccc(N[C@H](c2ccccc2)[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C21H21NO2/c1-24-19-14-12-18(13-15-19)22-20(16-8-4-2-5-9-16)21(23)17-10-6-3-7-11-17/h2-15,20-23H,1H3/t20-,21-/m1/s1
InChIKeyZTYUYEVIMOKKST-NHCUHLMSSA-N
MW319.40 g/mol
LogP4.58
Rot. Bonds6

About (1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol

(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol (PubChem CID 102584488) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is (1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol.

Molecular Properties

Compound Name(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol
PubChem CID102584488
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name(1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol
SMILESCOc1ccc(N[C@H](c2ccccc2)[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C21H21NO2/c1-24-19-14-12-18(13-15-19)22-20(16-8-4-2-5-9-16)21(23)17-10-6-3-7-11-17/h2-15,20-23H,1H3/t20-,21-/m1/s1
InChIKeyZTYUYEVIMOKKST-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyanilino)-1-(4-methylphenyl)-2-phenylethanol
CID 101146915
(1R,2S,3S)-3-(4-methoxyanilino)-2-methyl-1,3-diphenylpropan-1-ol
CID 101373003
(1R)-2-(4-methoxyanilino)-1-phenylpropan-1-ol
CID 102174473
(1S,2S)-2-anilino-1,2-diphenylethanol
CID 1236280
methyl (2S,3R)-2-hydroxy-3-(4-methoxyanilino)-3-phenylpropanoate
CID 102470524
(1S,2R)-1-N-(4-methoxyphenyl)-1-phenylbutane-1,2-diamine
CID 101421459
ethyl (2S,3R)-3-(4-methoxyanilino)-2-methyl-3-phenylpropanoate
CID 100975098
(1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol
CID 11174608
(2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 11087415
ethyl (2R,3R)-2-methoxy-3-(4-methoxyanilino)-3-phenylpropanoate
CID 101189863
(1R,2R)-2-hydrazinyl-1,2-bis(4-methoxyphenyl)ethanol
CID 124634382
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-4-methoxyaniline
CID 11219419

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol?
The IUPAC name of (1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol (CID 102584488) is (1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol.
What is the SMILES notation for (1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol?
The canonical SMILES for (1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol is COc1ccc(N[C@H](c2ccccc2)[C@H](O)c2ccccc2)cc1.
What is the InChIKey of (1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol?
The InChIKey is ZTYUYEVIMOKKST-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H21NO2/c1-24-19-14-12-18(13-15-19)22-20(16-8-4-2-5-9-16)21(23)17-10-6-3-7-11-17/h2-15,20-23H,1H3/t20-,21-/m1/s1.
What are the key properties of (1R,2R)-2-(4-methoxyanilino)-1,2-diphenylethanol?
(1R,2R)-2-(4-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-(4-methoxyanilino)-1,2-diphenylethanol is sourced from PubChem (CID 102584488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).