1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol

C12H17Cl2NO2 — CID 62334662

IUPAC1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)CCOc1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-9(16)8-15(2)6-7-17-12-10(13)4-3-5-11(12)14/h3-5,9,16H,6-8H2,1-2H3
InChIKeyMMHHFRAAQZGXSW-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.68
Rot. Bonds6

About 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol

1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol (PubChem CID 62334662) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol
PubChem CID62334662
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)CCOc1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-9(16)8-15(2)6-7-17-12-10(13)4-3-5-11(12)14/h3-5,9,16H,6-8H2,1-2H3
InChIKeyMMHHFRAAQZGXSW-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 62014776
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol
CID 55061080
1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107927
1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine
CID 154158720
1-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylamino]-2-methylpropan-2-ol
CID 111336261
2-[cyclopropyl-[2-(2,6-dichlorophenoxy)ethyl]amino]ethanol
CID 60774461
N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 43607211
4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 62334447
1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
CID 62333927
1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol
CID 112768273
4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 18083392

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol?
The IUPAC name of 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol (CID 62334662) is 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol is CC(O)CN(C)CCOc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol?
The InChIKey is MMHHFRAAQZGXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2/c1-9(16)8-15(2)6-7-17-12-10(13)4-3-5-11(12)14/h3-5,9,16H,6-8H2,1-2H3.
What are the key properties of 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol?
1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol has a molecular weight of 278.18 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenoxy)ethyl-methylamino]propan-2-ol is sourced from PubChem (CID 62334662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).