1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride

C19H26ClNO2 — CID 117067234

IUPAC1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride
SMILESCc1cccc(OCC(O)CNCCCc2ccccc2)c1.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-16-7-5-11-19(13-16)22-15-18(21)14-20-12-6-10-17-8-3-2-4-9-17;/h2-5,7-9,11,13,18,20-21H,6,10,12,14-15H2,1H3;1H
InChIKeyBURBFRABKUOHEF-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.38
Rot. Bonds9

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

1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride (PubChem CID 117067234) has the molecular formula C19H26ClNO2 and a molecular weight of 335.88 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride
PubChem CID117067234
Molecular FormulaC19H26ClNO2
Molecular Weight335.88 g/mol
Exact Mass335.17
IUPAC Name1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride
SMILESCc1cccc(OCC(O)CNCCCc2ccccc2)c1.Cl
InChIInChI=1S/C19H25NO2.ClH/c1-16-7-5-11-19(13-16)22-15-18(21)14-20-12-6-10-17-8-3-2-4-9-17;/h2-5,7-9,11,13,18,20-21H,6,10,12,14-15H2,1H3;1H
InChIKeyBURBFRABKUOHEF-UHFFFAOYSA-N
XLogP3.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
CID 97356530
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide
CID 54937901
1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 60908884
(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol;hydrochloride
CID 76968419
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632284
1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585686
3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol
CID 106285812
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
1-(3-methylphenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045312
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904579

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride (CID 117067234) is 1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride is Cc1cccc(OCC(O)CNCCCc2ccccc2)c1.Cl.
What is the InChIKey of 1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride?
The InChIKey is BURBFRABKUOHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2.ClH/c1-16-7-5-11-19(13-16)22-15-18(21)14-20-12-6-10-17-8-3-2-4-9-17;/h2-5,7-9,11,13,18,20-21H,6,10,12,14-15H2,1H3;1H.
What are the key properties of 1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride?
1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 117067234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).