3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol

C13H19Cl2NO4 — CID 66185309

IUPAC3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO4/c1-13(19,8-17)7-16-5-10(18)6-20-12-3-2-9(14)4-11(12)15/h2-4,10,16-19H,5-8H2,1H3
InChIKeySNVZVUXVCCZHEG-UHFFFAOYSA-N
MW324.20 g/mol
LogP1.07
Rot. Bonds8

About 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol

3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol (PubChem CID 66185309) has the molecular formula C13H19Cl2NO4 and a molecular weight of 324.20 g/mol. Its IUPAC name is 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol
PubChem CID66185309
Molecular FormulaC13H19Cl2NO4
Molecular Weight324.20 g/mol
Exact Mass323.07
IUPAC Name3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO4/c1-13(19,8-17)7-16-5-10(18)6-20-12-3-2-9(14)4-11(12)15/h2-4,10,16-19H,5-8H2,1H3
InChIKeySNVZVUXVCCZHEG-UHFFFAOYSA-N
XLogP1.07
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247232
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 3412619
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol
CID 60635084
1-(2,4-dichlorophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938687
3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
CID 65111839
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol
CID 66186467
1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol
CID 60899964

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol (CID 66185309) is 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol is CC(O)(CO)CNCC(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol?
The InChIKey is SNVZVUXVCCZHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO4/c1-13(19,8-17)7-16-5-10(18)6-20-12-3-2-9(14)4-11(12)15/h2-4,10,16-19H,5-8H2,1H3.
What are the key properties of 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol?
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol has a molecular weight of 324.20 g/mol, XLogP of 1.07, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66185309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).