1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

C15H25NO4 — CID 106989374

IUPAC1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNCC(O)c1ccccc1
InChIInChI=1S/C15H25NO4/c1-12(10-19-2)20-11-14(17)8-16-9-15(18)13-6-4-3-5-7-13/h3-7,12,14-18H,8-11H2,1-2H3
InChIKeyNBJKDEFWWPTDAG-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.72
Rot. Bonds10

About 1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106989374) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106989374
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CNCC(O)c1ccccc1
InChIInChI=1S/C15H25NO4/c1-12(10-19-2)20-11-14(17)8-16-9-15(18)13-6-4-3-5-7-13/h3-7,12,14-18H,8-11H2,1-2H3
InChIKeyNBJKDEFWWPTDAG-UHFFFAOYSA-N
XLogP0.72
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989494
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol
CID 106990619
1-(1-methoxypropan-2-yloxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 106989341
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol
CID 107151910
1-(1-methoxypropan-2-yloxy)-3-(2-propan-2-ylanilino)propan-2-ol
CID 106989088
1-(2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989033
2-[(2-methoxy-2-phenylethyl)amino]-1-phenylethanol
CID 110176855
2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol
CID 106989919

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106989374) is 1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CNCC(O)c1ccccc1.
What is the InChIKey of 1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is NBJKDEFWWPTDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-12(10-19-2)20-11-14(17)8-16-9-15(18)13-6-4-3-5-7-13/h3-7,12,14-18H,8-11H2,1-2H3.
What are the key properties of 1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 283.37 g/mol, XLogP of 0.72, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106989374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).