(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol

C15H23NO2 — CID 97116089

IUPAC(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol
SMILESCC(C)[C@@H](NC[C@@]1(O)CCOC1)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-12(2)14(13-6-4-3-5-7-13)16-10-15(17)8-9-18-11-15/h3-7,12,14,16-17H,8-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyBDSOMIHMGCWCSD-CABCVRRESA-N
MW249.35 g/mol
LogP2.12
Rot. Bonds5

About (3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol

(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol (PubChem CID 97116089) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol
PubChem CID97116089
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol
SMILESCC(C)[C@@H](NC[C@@]1(O)CCOC1)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-12(2)14(13-6-4-3-5-7-13)16-10-15(17)8-9-18-11-15/h3-7,12,14,16-17H,8-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyBDSOMIHMGCWCSD-CABCVRRESA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol with MolForge

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Related Compounds

(3R)-3-[[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]methyl]oxolan-3-ol
CID 99820767
3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol
CID 113349154
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834
1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 110936500
3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol
CID 103904871
(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
CID 97108282
3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol
CID 103904766
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide
CID 106101829
1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129357143
3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol
CID 103904875
[1-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclopentyl]methanol
CID 115358847
4-[(1-phenylbutylamino)methyl]oxan-4-ol
CID 81130769

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol?
The IUPAC name of (3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol (CID 97116089) is (3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for (3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for (3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol is CC(C)[C@@H](NC[C@@]1(O)CCOC1)c1ccccc1.
What is the InChIKey of (3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol?
The InChIKey is BDSOMIHMGCWCSD-CABCVRRESA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)14(13-6-4-3-5-7-13)16-10-15(17)8-9-18-11-15/h3-7,12,14,16-17H,8-11H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol?
(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol has a molecular weight of 249.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 97116089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).