4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol

C15H23NO4 — CID 81131042

IUPAC4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol
SMILESOC(CNCC1(O)CCOCC1)COc1ccccc1
InChIInChI=1S/C15H23NO4/c17-13(11-20-14-4-2-1-3-5-14)10-16-12-15(18)6-8-19-9-7-15/h1-5,13,16-18H,6-12H2
InChIKeyIRDSYYPRJNUWMO-UHFFFAOYSA-N
MW281.35 g/mol
LogP0.56
Rot. Bonds7

About 4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol

4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol (PubChem CID 81131042) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol
PubChem CID81131042
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol
SMILESOC(CNCC1(O)CCOCC1)COc1ccccc1
InChIInChI=1S/C15H23NO4/c17-13(11-20-14-4-2-1-3-5-14)10-16-12-15(18)6-8-19-9-7-15/h1-5,13,16-18H,6-12H2
InChIKeyIRDSYYPRJNUWMO-UHFFFAOYSA-N
XLogP0.56
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol
CID 81133438
3-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100759
3-[[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]methyl]oxolan-3-ol
CID 106100735
3-[[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100739
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-(morpholin-4-ylamino)-3-phenoxypropan-2-ol
CID 83021932
4-[[[4-(2-methylpropoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 111106413
1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol
CID 65108883
3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100524
4-[[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]methyl]oxan-4-ol
CID 81130882
1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
CID 104760727
(2R)-1-(2,2-dimethoxyethylamino)-3-phenoxypropan-2-ol
CID 2421328

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol (CID 81131042) is 4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol is OC(CNCC1(O)CCOCC1)COc1ccccc1.
What is the InChIKey of 4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol?
The InChIKey is IRDSYYPRJNUWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c17-13(11-20-14-4-2-1-3-5-14)10-16-12-15(18)6-8-19-9-7-15/h1-5,13,16-18H,6-12H2.
What are the key properties of 4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol?
4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol has a molecular weight of 281.35 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81131042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).