1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)propylamino]ethanone;hydrochloride

C18H22ClNO2 — CID 140999485

IUPAC1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)propylamino]ethanone;hydrochloride
SMILESCCC(NCC(=O)c1ccc(O)cc1)c1ccc(C)cc1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-3-17(14-6-4-13(2)5-7-14)19-12-18(21)15-8-10-16(20)11-9-15;/h4-11,17,19-20H,3,12H2,1-2H3;1H
InChIKeyYXJUNPGTXMWXEW-UHFFFAOYSA-N
MW319.83 g/mol
LogP4.05
Rot. Bonds6

About 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)propylamino]ethanone;hydrochloride

1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)propylamino]ethanone;hydrochloride (PubChem CID 140999485) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)propylamino]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)propylamino]ethanone;hydrochloride
PubChem CID140999485
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)propylamino]ethanone;hydrochloride
SMILESCCC(NCC(=O)c1ccc(O)cc1)c1ccc(C)cc1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-3-17(14-6-4-13(2)5-7-14)19-12-18(21)15-8-10-16(20)11-9-15;/h4-11,17,19-20H,3,12H2,1-2H3;1H
InChIKeyYXJUNPGTXMWXEW-UHFFFAOYSA-N
XLogP4.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500
4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride
CID 141070441
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030
2-[1-(4-hydroxyphenyl)propylamino]ethylurea
CID 83110517
1-[1-(4-methylphenyl)propylamino]butan-2-ol
CID 115899605
(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
CID 93081997
methyl 2-[1-(4-bromophenyl)propylamino]acetate
CID 43177477
3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one
CID 132593466
ethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate
CID 64580660
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
1-[4-[2-hydroxy-3-[1-(4-methylphenyl)propylamino]propoxy]phenyl]ethanone;hydrochloride
CID 138960102

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)propylamino]ethanone;hydrochloride?
The IUPAC name of 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)propylamino]ethanone;hydrochloride (CID 140999485) is 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)propylamino]ethanone;hydrochloride.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)propylamino]ethanone;hydrochloride?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)propylamino]ethanone;hydrochloride is CCC(NCC(=O)c1ccc(O)cc1)c1ccc(C)cc1.Cl.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)propylamino]ethanone;hydrochloride?
The InChIKey is YXJUNPGTXMWXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2.ClH/c1-3-17(14-6-4-13(2)5-7-14)19-12-18(21)15-8-10-16(20)11-9-15;/h4-11,17,19-20H,3,12H2,1-2H3;1H.
What are the key properties of 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)propylamino]ethanone;hydrochloride?
1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)propylamino]ethanone;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)propylamino]ethanone;hydrochloride is sourced from PubChem (CID 140999485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).