1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol

C13H19Cl2NO3 — CID 62014390

IUPAC1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO3/c1-16(8-11(17)9-18-2)5-6-19-13-4-3-10(14)7-12(13)15/h3-4,7,11,17H,5-6,8-9H2,1-2H3
InChIKeyGDRBOPPYDZBTJH-UHFFFAOYSA-N
MW308.20 g/mol
LogP2.31
Rot. Bonds8

About 1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol

1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol (PubChem CID 62014390) has the molecular formula C13H19Cl2NO3 and a molecular weight of 308.20 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
PubChem CID62014390
Molecular FormulaC13H19Cl2NO3
Molecular Weight308.20 g/mol
Exact Mass307.07
IUPAC Name1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO3/c1-16(8-11(17)9-18-2)5-6-19-13-4-3-10(14)7-12(13)15/h3-4,7,11,17H,5-6,8-9H2,1-2H3
InChIKeyGDRBOPPYDZBTJH-UHFFFAOYSA-N
XLogP2.31
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 62014776
N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62688620
1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol
CID 112768273
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
1-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-3-methoxypropan-2-ol
CID 54993616
ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate
CID 62012022
1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride
CID 16798589
1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 54994996
1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 103883811
methyl 3-[2-(2-bromo-4-chlorophenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60971207
2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691948
2-(2,4-dichlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 54993871

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol (CID 62014390) is 1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol?
The InChIKey is GDRBOPPYDZBTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO3/c1-16(8-11(17)9-18-2)5-6-19-13-4-3-10(14)7-12(13)15/h3-4,7,11,17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol?
1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol has a molecular weight of 308.20 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 62014390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).