4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol

C14H21NO3 — CID 97342031

IUPAC4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol
SMILESOC[C@@H](NCC1(O)CCOCC1)c1ccccc1
InChIInChI=1S/C14H21NO3/c16-10-13(12-4-2-1-3-5-12)15-11-14(17)6-8-18-9-7-14/h1-5,13,15-17H,6-11H2/t13-/m1/s1
InChIKeyALIIUQZHZFVEPB-CYBMUJFWSA-N
MW251.33 g/mol
LogP0.85
Rot. Bonds5

About 4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol

4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol (PubChem CID 97342031) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol
PubChem CID97342031
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol
SMILESOC[C@@H](NCC1(O)CCOCC1)c1ccccc1
InChIInChI=1S/C14H21NO3/c16-10-13(12-4-2-1-3-5-12)15-11-14(17)6-8-18-9-7-14/h1-5,13,15-17H,6-11H2/t13-/m1/s1
InChIKeyALIIUQZHZFVEPB-CYBMUJFWSA-N
XLogP0.85
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[(1-phenylbutylamino)methyl]oxan-4-ol
CID 81130769
4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol
CID 81131200
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide
CID 106101829
4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol
CID 114871723
4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 103945288
4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 103951352
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 81130040
(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol
CID 97116089
4-[[1-(3-bromophenyl)ethylamino]methyl]oxan-4-ol
CID 79140113
1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 110936500
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 79039200
2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol
CID 107270869

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol (CID 97342031) is 4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol is OC[C@@H](NCC1(O)CCOCC1)c1ccccc1.
What is the InChIKey of 4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol?
The InChIKey is ALIIUQZHZFVEPB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO3/c16-10-13(12-4-2-1-3-5-12)15-11-14(17)6-8-18-9-7-14/h1-5,13,15-17H,6-11H2/t13-/m1/s1.
What are the key properties of 4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol?
4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol has a molecular weight of 251.33 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 97342031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).