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

C19H24Cl3NO2 — CID 138960076

IUPAC1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
SMILESCCC(NCC(O)COc1ccc(Cl)cc1Cl)c1ccc(C)cc1.Cl
InChIInChI=1S/C19H23Cl2NO2.ClH/c1-3-18(14-6-4-13(2)5-7-14)22-11-16(23)12-24-19-9-8-15(20)10-17(19)21;/h4-10,16,18,22-23H,3,11-12H2,1-2H3;1H
InChIKeySMSLIHJFYGXYKS-UHFFFAOYSA-N
MW404.77 g/mol
LogP5.20
Rot. Bonds8

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

1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride (PubChem CID 138960076) has the molecular formula C19H24Cl3NO2 and a molecular weight of 404.77 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
PubChem CID138960076
Molecular FormulaC19H24Cl3NO2
Molecular Weight404.77 g/mol
Exact Mass403.09
IUPAC Name1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
SMILESCCC(NCC(O)COc1ccc(Cl)cc1Cl)c1ccc(C)cc1.Cl
InChIInChI=1S/C19H23Cl2NO2.ClH/c1-3-18(14-6-4-13(2)5-7-14)22-11-16(23)12-24-19-9-8-15(20)10-17(19)21;/h4-10,16,18,22-23H,3,11-12H2,1-2H3;1H
InChIKeySMSLIHJFYGXYKS-UHFFFAOYSA-N
XLogP5.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.77
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride 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-chlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride
CID 138960082
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
1-(2-chloro-4-methylphenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960404
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
1-(2,4-dichlorophenoxy)-3-(4-methylpentan-2-ylamino)propan-2-ol
CID 60902173
(2S)-1-(2,4-dichlorophenoxy)-3-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 31580914
1-[1-(4-methylphenyl)propylamino]butan-2-ol
CID 115899605
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-[4-[2-hydroxy-3-[1-(4-methylphenyl)propylamino]propoxy]phenyl]ethanone;hydrochloride
CID 138960102
1-(2,4-dichlorophenoxy)-3-(dicyclopropylmethylamino)propan-2-ol
CID 60713244
1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol
CID 138960105
1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol
CID 60899964

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride (CID 138960076) is 1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride is CCC(NCC(O)COc1ccc(Cl)cc1Cl)c1ccc(C)cc1.Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride?
The InChIKey is SMSLIHJFYGXYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO2.ClH/c1-3-18(14-6-4-13(2)5-7-14)22-11-16(23)12-24-19-9-8-15(20)10-17(19)21;/h4-10,16,18,22-23H,3,11-12H2,1-2H3;1H.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride?
1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride has a molecular weight of 404.77 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-[1-(4-methylphenyl)propylamino]propan-2-ol;hydrochloride is sourced from PubChem (CID 138960076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).