2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride

C16H20ClNO2 — CID 171214454

IUPAC2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride
SMILESCC[C@@H](N)c1ccc(OCc2ccccc2)cc1O.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-2-15(17)14-9-8-13(10-16(14)18)19-11-12-6-4-3-5-7-12;/h3-10,15,18H,2,11,17H2,1H3;1H/t15-;/m1./s1
InChIKeyHLOVDJUCVSVJIC-XFULWGLBSA-N
MW293.79 g/mol
LogP3.80
Rot. Bonds5

About 2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride

2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride (PubChem CID 171214454) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride
PubChem CID171214454
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride
SMILESCC[C@@H](N)c1ccc(OCc2ccccc2)cc1O.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-2-15(17)14-9-8-13(10-16(14)18)19-11-12-6-4-3-5-7-12;/h3-10,15,18H,2,11,17H2,1H3;1H/t15-;/m1./s1
InChIKeyHLOVDJUCVSVJIC-XFULWGLBSA-N
XLogP3.80
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride
CID 171234127
2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214501
2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214474
2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol
CID 171214502
2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol
CID 171214455
2-(2-aminobutyl)-5-phenylmethoxyphenol
CID 170889335
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171244462
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214482
2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid
CID 170825141
1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819017
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171210406

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride (CID 171214454) is 2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride is CC[C@@H](N)c1ccc(OCc2ccccc2)cc1O.Cl.
What is the InChIKey of 2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride?
The InChIKey is HLOVDJUCVSVJIC-XFULWGLBSA-N. The full InChI is InChI=1S/C16H19NO2.ClH/c1-2-15(17)14-9-8-13(10-16(14)18)19-11-12-6-4-3-5-7-12;/h3-10,15,18H,2,11,17H2,1H3;1H/t15-;/m1./s1.
What are the key properties of 2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride?
2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride has a molecular weight of 293.79 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride is sourced from PubChem (CID 171214454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).