1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol

C13H19Cl2NO4 — CID 106190688

IUPAC1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol
SMILESCOCC(CO)NCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO4/c1-19-7-10(6-17)16-5-11(18)8-20-13-4-9(14)2-3-12(13)15/h2-4,10-11,16-18H,5-8H2,1H3
InChIKeySERBWBCOVNTBDB-UHFFFAOYSA-N
MW324.20 g/mol
LogP1.33
Rot. Bonds9

About 1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol

1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol (PubChem CID 106190688) has the molecular formula C13H19Cl2NO4 and a molecular weight of 324.20 g/mol. Its IUPAC name is 1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol
PubChem CID106190688
Molecular FormulaC13H19Cl2NO4
Molecular Weight324.20 g/mol
Exact Mass323.07
IUPAC Name1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol
SMILESCOCC(CO)NCC(O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO4/c1-19-7-10(6-17)16-5-11(18)8-20-13-4-9(14)2-3-12(13)15/h2-4,10-11,16-18H,5-8H2,1H3
InChIKeySERBWBCOVNTBDB-UHFFFAOYSA-N
XLogP1.33
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol with MolForge

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Related Compounds

1-(2,5-dichlorophenoxy)-3-(hexan-3-ylamino)propan-2-ol
CID 62119307
2-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-3-methoxypropan-1-ol
CID 114156111
1-(2,5-dichlorophenoxy)-3-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
CID 82939369
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60649077
1-(2,5-dichlorophenoxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103746646
(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
CID 2141740
1-(2,5-dichlorophenoxy)-3-(hex-1-yn-3-ylamino)propan-2-ol
CID 106229990
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propane-1,3-diol
CID 65314255
[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]azanium
CID 9159109
1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 3542105
(2S)-1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 2114447

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol (CID 106190688) is 1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol is COCC(CO)NCC(O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol?
The InChIKey is SERBWBCOVNTBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO4/c1-19-7-10(6-17)16-5-11(18)8-20-13-4-9(14)2-3-12(13)15/h2-4,10-11,16-18H,5-8H2,1H3.
What are the key properties of 1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol?
1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol has a molecular weight of 324.20 g/mol, XLogP of 1.33, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 106190688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).