1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride

C13H22ClNO2 — CID 16812220

IUPAC1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCc1ccc(OCC(O)CNC(C)C)cc1.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-10(2)14-8-12(15)9-16-13-6-4-11(3)5-7-13;/h4-7,10,12,14-15H,8-9H2,1-3H3;1H
InChIKeyJPHPNUCUQDXFHJ-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.15
Rot. Bonds6

About 1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride

1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 16812220) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID16812220
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCc1ccc(OCC(O)CNC(C)C)cc1.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-10(2)14-8-12(15)9-16-13-6-4-11(3)5-7-13;/h4-7,10,12,14-15H,8-9H2,1-3H3;1H
InChIKeyJPHPNUCUQDXFHJ-UHFFFAOYSA-N
XLogP2.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol
CID 54938847
1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol
CID 70528605
(2S)-2-[[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]amino]butan-1-ol
CID 41474772
1-(propan-2-ylamino)-3-[4-(3-propan-2-yloxypropoxy)phenoxy]propan-2-ol
CID 177126524
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 16812220) is 1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride is Cc1ccc(OCC(O)CNC(C)C)cc1.Cl.
What is the InChIKey of 1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is JPHPNUCUQDXFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2.ClH/c1-10(2)14-8-12(15)9-16-13-6-4-11(3)5-7-13;/h4-7,10,12,14-15H,8-9H2,1-3H3;1H.
What are the key properties of 1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 16812220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).