1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride

C19H25Cl2NO2 — CID 138960082

IUPAC1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
SMILESCCC(NCC(O)COc1ccccc1Cl)c1ccc(C)cc1.Cl
InChIInChI=1S/C19H24ClNO2.ClH/c1-3-18(15-10-8-14(2)9-11-15)21-12-16(22)13-23-19-7-5-4-6-17(19)20;/h4-11,16,18,21-22H,3,12-13H2,1-2H3;1H
InChIKeyZXHCCAJQJWFJSJ-UHFFFAOYSA-N
MW370.32 g/mol
LogP4.55
Rot. Bonds8

About 1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride

1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride (PubChem CID 138960082) has the molecular formula C19H25Cl2NO2 and a molecular weight of 370.32 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
PubChem CID138960082
Molecular FormulaC19H25Cl2NO2
Molecular Weight370.32 g/mol
Exact Mass369.13
IUPAC Name1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
SMILESCCC(NCC(O)COc1ccccc1Cl)c1ccc(C)cc1.Cl
InChIInChI=1S/C19H24ClNO2.ClH/c1-3-18(15-10-8-14(2)9-11-15)21-12-16(22)13-23-19-7-5-4-6-17(19)20;/h4-11,16,18,21-22H,3,12-13H2,1-2H3;1H
InChIKeyZXHCCAJQJWFJSJ-UHFFFAOYSA-N
XLogP4.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
CID 138960076
(2R)-2-[[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]amino]butan-1-ol
CID 2141740
1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
CID 112768285
1-[1-(4-methylphenyl)propylamino]butan-2-ol
CID 115899605
1-[4-[2-hydroxy-3-[1-(4-methylphenyl)propylamino]propoxy]phenyl]ethanone;hydrochloride
CID 138960102
1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol
CID 138960105
1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol
CID 112811027
1-[1-(4-methylphenyl)propylamino]-3-(4-nitrophenoxy)propan-2-ol
CID 138960109
(2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 2561544
1-(2-chloro-4-methylphenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960404
1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol
CID 62306251
(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
CID 93081997

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride (CID 138960082) is 1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride is CCC(NCC(O)COc1ccccc1Cl)c1ccc(C)cc1.Cl.
What is the InChIKey of 1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride?
The InChIKey is ZXHCCAJQJWFJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2.ClH/c1-3-18(15-10-8-14(2)9-11-15)21-12-16(22)13-23-19-7-5-4-6-17(19)20;/h4-11,16,18,21-22H,3,12-13H2,1-2H3;1H.
What are the key properties of 1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride?
1-(2-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride has a molecular weight of 370.32 g/mol, XLogP of 4.55, 8 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-methylphenyl)propylamino]propan-2-ol;hydrochloride is sourced from PubChem (CID 138960082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).