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

C16H25NO4 — CID 81133438

IUPAC4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol
SMILESOC(CNCC1(O)CCOCC1)COCc1ccccc1
InChIInChI=1S/C16H25NO4/c18-15(12-21-11-14-4-2-1-3-5-14)10-17-13-16(19)6-8-20-9-7-16/h1-5,15,17-19H,6-13H2
InChIKeyLFVLLPYXCMZNFU-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.70
Rot. Bonds8

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

4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol (PubChem CID 81133438) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol
PubChem CID81133438
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol
SMILESOC(CNCC1(O)CCOCC1)COCc1ccccc1
InChIInChI=1S/C16H25NO4/c18-15(12-21-11-14-4-2-1-3-5-14)10-17-13-16(19)6-8-20-9-7-16/h1-5,15,17-19H,6-13H2
InChIKeyLFVLLPYXCMZNFU-UHFFFAOYSA-N
XLogP0.70
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]oxan-4-ol
CID 81131042
1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol
CID 105416659
3-[[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100524
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
4-(2-hydroxy-3-phenylmethoxypropyl)oxane-4-carboxylic acid
CID 79422847
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
1-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cycloheptan-1-ol
CID 65123112
(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
CID 171477760
1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol
CID 62516876
(2R)-1-phenylmethoxy-3-(prop-2-enylamino)propan-2-ol
CID 118006903
1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
CID 115591857

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol (CID 81133438) is 4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol is OC(CNCC1(O)CCOCC1)COCc1ccccc1.
What is the InChIKey of 4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol?
The InChIKey is LFVLLPYXCMZNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c18-15(12-21-11-14-4-2-1-3-5-14)10-17-13-16(19)6-8-20-9-7-16/h1-5,15,17-19H,6-13H2.
What are the key properties of 4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol?
4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol has a molecular weight of 295.38 g/mol, XLogP of 0.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81133438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).