1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol

C13H21NO4 — CID 60909725

IUPAC1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OCC(O)CNC(C)CO)c1
InChIInChI=1S/C13H21NO4/c1-10(8-15)14-7-11(16)9-18-13-5-3-4-12(6-13)17-2/h3-6,10-11,14-16H,7-9H2,1-2H3
InChIKeyATOIATDEFVUZFD-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.41
Rot. Bonds8

About 1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol

1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol (PubChem CID 60909725) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
PubChem CID60909725
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OCC(O)CNC(C)CO)c1
InChIInChI=1S/C13H21NO4/c1-10(8-15)14-7-11(16)9-18-13-5-3-4-12(6-13)17-2/h3-6,10-11,14-16H,7-9H2,1-2H3
InChIKeyATOIATDEFVUZFD-UHFFFAOYSA-N
XLogP0.41
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64642037
4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol
CID 70552130
(2S)-1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 39826278
3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol
CID 106159850
1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol
CID 60909460
1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841183
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 106841822
3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol
CID 83176233
2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 62518668
1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909045
1-(3-methoxyphenoxy)-5-methylhexan-2-ol
CID 157099262

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol (CID 60909725) is 1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol is COc1cccc(OCC(O)CNC(C)CO)c1.
What is the InChIKey of 1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol?
The InChIKey is ATOIATDEFVUZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-10(8-15)14-7-11(16)9-18-13-5-3-4-12(6-13)17-2/h3-6,10-11,14-16H,7-9H2,1-2H3.
What are the key properties of 1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol?
1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol has a molecular weight of 255.31 g/mol, XLogP of 0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 60909725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).