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

C16H27NO4 — CID 106990619

IUPAC2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol
SMILESCOCC(C)OCC(O)CNC(C)(CO)c1ccccc1
InChIInChI=1S/C16H27NO4/c1-13(10-20-3)21-11-15(19)9-17-16(2,12-18)14-7-5-4-6-8-14/h4-8,13,15,17-19H,9-12H2,1-3H3
InChIKeyHKPYZUUYGAQTPW-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.90
Rot. Bonds10

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

2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol (PubChem CID 106990619) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol
PubChem CID106990619
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol
SMILESCOCC(C)OCC(O)CNC(C)(CO)c1ccccc1
InChIInChI=1S/C16H27NO4/c1-13(10-20-3)21-11-15(19)9-17-16(2,12-18)14-7-5-4-6-8-14/h4-8,13,15,17-19H,9-12H2,1-3H3
InChIKeyHKPYZUUYGAQTPW-UHFFFAOYSA-N
XLogP0.90
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxypropylamino)-2-phenylpropan-1-ol
CID 115621374
1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989374
2-(2-methylbutylamino)-2-phenylpropan-1-ol
CID 115687949
2-(ethylamino)-3-(1-methoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 64811608
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-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-3-phenylpropan-1-ol
CID 106989919
1-(1-methoxypropan-2-yloxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 106989714
2-(3-methylbutylamino)-2-phenylpropan-1-ol
CID 115619641
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-phenylpropan-1-ol
CID 115634217
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
1-[[2-(methoxymethyl)phenyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989494

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol (CID 106990619) is 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol is COCC(C)OCC(O)CNC(C)(CO)c1ccccc1.
What is the InChIKey of 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol?
The InChIKey is HKPYZUUYGAQTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-13(10-20-3)21-11-15(19)9-17-16(2,12-18)14-7-5-4-6-8-14/h4-8,13,15,17-19H,9-12H2,1-3H3.
What are the key properties of 2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol?
2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol has a molecular weight of 297.40 g/mol, XLogP of 0.90, 10 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]-2-phenylpropan-1-ol is sourced from PubChem (CID 106990619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).