2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride

C16H20ClNO3 — CID 171214501

IUPAC2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
SMILESCl.N[C@H](CCO)c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C16H19NO3.ClH/c17-15(8-9-18)14-7-6-13(10-16(14)19)20-11-12-4-2-1-3-5-12;/h1-7,10,15,18-19H,8-9,11,17H2;1H/t15-;/m1./s1
InChIKeyHAKRUSKJJLEAPQ-XFULWGLBSA-N
MW309.79 g/mol
LogP2.78
Rot. Bonds6

About 2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride

2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride (PubChem CID 171214501) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
PubChem CID171214501
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
SMILESCl.N[C@H](CCO)c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C16H19NO3.ClH/c17-15(8-9-18)14-7-6-13(10-16(14)19)20-11-12-4-2-1-3-5-12;/h1-7,10,15,18-19H,8-9,11,17H2;1H/t15-;/m1./s1
InChIKeyHAKRUSKJJLEAPQ-XFULWGLBSA-N
XLogP2.78
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol
CID 171214502
2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214474
2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride
CID 171234127
3-amino-3-(2-chloro-4-phenylmethoxyphenyl)propan-1-ol
CID 139696671
2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214454
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171244462
2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol
CID 171214455
4-[(1R)-1-amino-3-hydroxypropyl]benzene-1,3-diol;hydrochloride
CID 171200142
1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819017
2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214482
2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid
CID 170825141
2-(1-amino-3-hydroxypropyl)phenol;hydrochloride
CID 170874374

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride (CID 171214501) is 2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride is Cl.N[C@H](CCO)c1ccc(OCc2ccccc2)cc1O.
What is the InChIKey of 2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride?
The InChIKey is HAKRUSKJJLEAPQ-XFULWGLBSA-N. The full InChI is InChI=1S/C16H19NO3.ClH/c17-15(8-9-18)14-7-6-13(10-16(14)19)20-11-12-4-2-1-3-5-12;/h1-7,10,15,18-19H,8-9,11,17H2;1H/t15-;/m1./s1.
What are the key properties of 2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride?
2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride has a molecular weight of 309.79 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride is sourced from PubChem (CID 171214501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).