1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol

C17H19Cl2NO2 — CID 112768285

IUPAC1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
SMILESCC(NCC(O)COc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2NO2/c1-12(13-6-8-14(18)9-7-13)20-10-15(21)11-22-17-5-3-2-4-16(17)19/h2-9,12,15,20-21H,10-11H2,1H3
InChIKeySIBXIEHWZAUNEE-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.08
Rot. Bonds7

About 1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol

1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol (PubChem CID 112768285) has the molecular formula C17H19Cl2NO2 and a molecular weight of 340.25 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
PubChem CID112768285
Molecular FormulaC17H19Cl2NO2
Molecular Weight340.25 g/mol
Exact Mass339.08
IUPAC Name1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
SMILESCC(NCC(O)COc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2NO2/c1-12(13-6-8-14(18)9-7-13)20-10-15(21)11-22-17-5-3-2-4-16(17)19/h2-9,12,15,20-21H,10-11H2,1H3
InChIKeySIBXIEHWZAUNEE-UHFFFAOYSA-N
XLogP4.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol with MolForge

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Related Compounds

1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138960352
1-[2-[3-[1-(4-chlorophenyl)ethylamino]-2-hydroxypropoxy]phenyl]ethanone
CID 138960383
1-(2-chloro-4-methylphenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960404
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81353301
(2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 31580914
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol
CID 138960443
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768282
1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
CID 138960082
(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
CID 2141740
1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768289
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol
CID 138960502
1-(2-chlorophenoxy)-3-(1-cyclohexylethylamino)propan-2-ol
CID 62406462

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol (CID 112768285) is 1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol is CC(NCC(O)COc1ccccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol?
The InChIKey is SIBXIEHWZAUNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2/c1-12(13-6-8-14(18)9-7-13)20-10-15(21)11-22-17-5-3-2-4-16(17)19/h2-9,12,15,20-21H,10-11H2,1H3.
What are the key properties of 1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol?
1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol has a molecular weight of 340.25 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 112768285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).