4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride

C19H26ClNO2 — CID 141070441

IUPAC4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride
SMILESCCC(NC(C)C(O)c1ccc(O)cc1)c1ccc(C)cc1.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-4-18(15-7-5-13(2)6-8-15)20-14(3)19(22)16-9-11-17(21)12-10-16;/h5-12,14,18-22H,4H2,1-3H3;1H
InChIKeyDCVZNYVSFMLLPR-UHFFFAOYSA-N
MW335.88 g/mol
LogP4.29
Rot. Bonds6

About 4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride

4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride (PubChem CID 141070441) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride
PubChem CID141070441
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC Name4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride
SMILESCCC(NC(C)C(O)c1ccc(O)cc1)c1ccc(C)cc1.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-4-18(15-7-5-13(2)6-8-15)20-14(3)19(22)16-9-11-17(21)12-10-16;/h5-12,14,18-22H,4H2,1-3H3;1H
InChIKeyDCVZNYVSFMLLPR-UHFFFAOYSA-N
XLogP4.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500
1-phenyl-2-(1-phenylpropylamino)propan-1-ol
CID 12999293
2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride
CID 76974190
4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol
CID 82312289
1-(4-hydroxyphenyl)-2-[1-(4-methylphenyl)propylamino]ethanone;hydrochloride
CID 140999485
4-[1-[1-(2,5-dimethylphenyl)ethylamino]propyl]phenol
CID 43732505
4-[1-[1-(2,4-dimethylphenyl)ethylamino]propyl]phenol
CID 60944426
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
CID 93081997
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
2-[1-(4-hydroxyphenyl)propylamino]propanoic acid
CID 61499813

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride?
The IUPAC name of 4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride (CID 141070441) is 4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride.
What is the SMILES notation for 4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride?
The canonical SMILES for 4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride is CCC(NC(C)C(O)c1ccc(O)cc1)c1ccc(C)cc1.Cl.
What is the InChIKey of 4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride?
The InChIKey is DCVZNYVSFMLLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2.ClH/c1-4-18(15-7-5-13(2)6-8-15)20-14(3)19(22)16-9-11-17(21)12-10-16;/h5-12,14,18-22H,4H2,1-3H3;1H.
What are the key properties of 4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride?
4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride is sourced from PubChem (CID 141070441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).