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

C16H19ClFNO2 — CID 171214474

IUPAC2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride
SMILESCl.N[C@H](CCF)c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C16H18FNO2.ClH/c17-9-8-15(18)14-7-6-13(10-16(14)19)20-11-12-4-2-1-3-5-12;/h1-7,10,15,19H,8-9,11,18H2;1H/t15-;/m1./s1
InChIKeyOZDKXVVMVUXZDG-XFULWGLBSA-N
MW311.78 g/mol
LogP3.75
Rot. Bonds6

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

2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride (PubChem CID 171214474) has the molecular formula C16H19ClFNO2 and a molecular weight of 311.78 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride
PubChem CID171214474
Molecular FormulaC16H19ClFNO2
Molecular Weight311.78 g/mol
Exact Mass311.11
IUPAC Name2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride
SMILESCl.N[C@H](CCF)c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C16H18FNO2.ClH/c17-9-8-15(18)14-7-6-13(10-16(14)19)20-11-12-4-2-1-3-5-12;/h1-7,10,15,19H,8-9,11,18H2;1H/t15-;/m1./s1
InChIKeyOZDKXVVMVUXZDG-XFULWGLBSA-N
XLogP3.75
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 53.75
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-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214501
2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol
CID 171214502
2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride
CID 171234127
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
3-amino-3-(2-chloro-4-phenylmethoxyphenyl)propan-1-ol
CID 139696671
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
(1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol
CID 129361760
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride (CID 171214474) is 2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride is Cl.N[C@H](CCF)c1ccc(OCc2ccccc2)cc1O.
What is the InChIKey of 2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride?
The InChIKey is OZDKXVVMVUXZDG-XFULWGLBSA-N. The full InChI is InChI=1S/C16H18FNO2.ClH/c17-9-8-15(18)14-7-6-13(10-16(14)19)20-11-12-4-2-1-3-5-12;/h1-7,10,15,19H,8-9,11,18H2;1H/t15-;/m1./s1.
What are the key properties of 2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride?
2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride has a molecular weight of 311.78 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride is sourced from PubChem (CID 171214474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).