(1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol

C20H25NO3 — CID 101454375

IUPAC(1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol
SMILESC[C@H]([C@H](O)OC(c1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H25NO3/c1-16(21-12-14-23-15-13-21)20(22)24-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,22H,12-15H2,1H3/t16-,20-/m1/s1
InChIKeySJIBICDAHKDGNM-OXQOHEQNSA-N
MW327.42 g/mol
LogP2.83
Rot. Bonds6

About (1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol

(1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol (PubChem CID 101454375) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol
PubChem CID101454375
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol
SMILESC[C@H]([C@H](O)OC(c1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H25NO3/c1-16(21-12-14-23-15-13-21)20(22)24-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,22H,12-15H2,1H3/t16-,20-/m1/s1
InChIKeySJIBICDAHKDGNM-OXQOHEQNSA-N
XLogP2.83
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol 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

7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
(1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol
CID 177420176
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572
(2R)-2-morpholin-4-yl-N-[(1S)-1-phenylethyl]propanamide
CID 27067773
2-morpholin-4-yl-N-(1-phenylethyl)propanamide
CID 42913456
1-(4-methoxyphenyl)-2-morpholin-4-yl-2-phenylethanone
CID 644374
(3S,4S)-3,4-dimorpholin-4-yl-4-phenylbutan-2-one
CID 680065
4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol
CID 11971899
4-(1-phenylbut-2-ynyl)morpholine
CID 3787055
2-[(S)-morpholin-4-yl(phenyl)methyl]phenol
CID 36690968
(2S,3S)-2-hydroxy-3-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 1481632

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol?
The IUPAC name of (1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol (CID 101454375) is (1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for (1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol?
The canonical SMILES for (1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol is C[C@H]([C@H](O)OC(c1ccccc1)c1ccccc1)N1CCOCC1.
What is the InChIKey of (1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol?
The InChIKey is SJIBICDAHKDGNM-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H25NO3/c1-16(21-12-14-23-15-13-21)20(22)24-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20,22H,12-15H2,1H3/t16-,20-/m1/s1.
What are the key properties of (1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol?
(1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol has a molecular weight of 327.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-benzhydryloxy-2-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 101454375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).