2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol

C16H27NO4 — CID 106989919

IUPAC2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol
SMILESCOCC(C)OCC(O)CNC(CO)Cc1ccccc1
InChIInChI=1S/C16H27NO4/c1-13(11-20-2)21-12-16(19)9-17-15(10-18)8-14-6-4-3-5-7-14/h3-7,13,15-19H,8-12H2,1-2H3
InChIKeyOTOFQRPRWDLSME-UHFFFAOYSA-N
MW297.39 g/mol
LogP0.59
Rot. Bonds11

About 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol

2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol (PubChem CID 106989919) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol
PubChem CID106989919
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol
SMILESCOCC(C)OCC(O)CNC(CO)Cc1ccccc1
InChIInChI=1S/C16H27NO4/c1-13(11-20-2)21-12-16(19)9-17-15(10-18)8-14-6-4-3-5-7-14/h3-7,13,15-19H,8-12H2,1-2H3
InChIKeyOTOFQRPRWDLSME-UHFFFAOYSA-N
XLogP0.59
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095
1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989374
2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol
CID 106990619
2-(2-methylpentylamino)-3-phenylpropan-1-ol
CID 63260515
2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol
CID 63261549
2-[(2-methoxy-1-phenylethyl)amino]-3-phenylpropan-1-ol
CID 103464251
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
1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989494
1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 106989546
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
2-(2-ethoxyethylamino)-3-phenylpropan-1-ol
CID 63261508

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol (CID 106989919) is 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol is COCC(C)OCC(O)CNC(CO)Cc1ccccc1.
What is the InChIKey of 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol?
The InChIKey is OTOFQRPRWDLSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-13(11-20-2)21-12-16(19)9-17-15(10-18)8-14-6-4-3-5-7-14/h3-7,13,15-19H,8-12H2,1-2H3.
What are the key properties of 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol?
2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol has a molecular weight of 297.39 g/mol, XLogP of 0.59, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 106989919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).