[(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol

C20H25NO2 — CID 134702161

IUPAC[(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
SMILESCc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)cc1C
InChIInChI=1S/C20H25NO2/c1-15-8-9-17(12-16(15)2)13-21-10-11-23-19(14-22)20(21)18-6-4-3-5-7-18/h3-9,12,19-20,22H,10-11,13-14H2,1-2H3/t19-,20-/m1/s1
InChIKeyLCCVGBISBBJNAR-WOJBJXKFSA-N
MW311.43 g/mol
LogP3.24
Rot. Bonds4

About [(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol

[(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol (PubChem CID 134702161) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is [(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
PubChem CID134702161
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name[(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
SMILESCc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)cc1C
InChIInChI=1S/C20H25NO2/c1-15-8-9-17(12-16(15)2)13-21-10-11-23-19(14-22)20(21)18-6-4-3-5-7-18/h3-9,12,19-20,22H,10-11,13-14H2,1-2H3/t19-,20-/m1/s1
InChIKeyLCCVGBISBBJNAR-WOJBJXKFSA-N
XLogP3.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3R)-4-[(3-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134709769
2-[3-[[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methyl]phenoxy]ethanol
CID 134699437
[(2S,3R)-4-[(1-ethylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134704142
[(2S,3R)-4-[(2,6-difluoro-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134712032
5-[[(2S,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)morpholin-4-yl]methyl]-2-methoxybenzoic acid
CID 135102230
[(2R,3S)-3-(2-chlorophenyl)-4-[(4-methylphenyl)methyl]morpholin-2-yl]methanol
CID 155917841
[(2S,3R)-4-[(3-ethylimidazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134711284
[(2S,3R)-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134711340
[(2R,3S)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 155911732
[(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134706044
[(2S,3R)-4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134703932
[(2S,3R)-3-(3,4-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methanol
CID 134712814

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol?
The IUPAC name of [(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol (CID 134702161) is [(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol is Cc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)cc1C.
What is the InChIKey of [(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol?
The InChIKey is LCCVGBISBBJNAR-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-8-9-17(12-16(15)2)13-21-10-11-23-19(14-22)20(21)18-6-4-3-5-7-18/h3-9,12,19-20,22H,10-11,13-14H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of [(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol?
[(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol has a molecular weight of 311.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol is sourced from PubChem (CID 134702161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).