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

C15H18ClNO3 — CID 171234127

IUPAC2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride
SMILESCl.N[C@@H](CO)c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C15H17NO3.ClH/c16-14(9-17)13-7-6-12(8-15(13)18)19-10-11-4-2-1-3-5-11;/h1-8,14,17-18H,9-10,16H2;1H/t14-;/m0./s1
InChIKeyLDGKXWSOGUPDLY-UQKRIMTDSA-N
MW295.77 g/mol
LogP2.39
Rot. Bonds5

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

2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride (PubChem CID 171234127) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride
PubChem CID171234127
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride
SMILESCl.N[C@@H](CO)c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C15H17NO3.ClH/c16-14(9-17)13-7-6-12(8-15(13)18)19-10-11-4-2-1-3-5-11;/h1-8,14,17-18H,9-10,16H2;1H/t14-;/m0./s1
InChIKeyLDGKXWSOGUPDLY-UQKRIMTDSA-N
XLogP2.39
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.39
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-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214501
2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214454
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-2,2-difluoro-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171244462
1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819017
2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol
CID 171214455
2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214482
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid
CID 170825141
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
3-amino-3-(2-chloro-4-phenylmethoxyphenyl)propan-1-ol
CID 139696671

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride (CID 171234127) is 2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride is Cl.N[C@@H](CO)c1ccc(OCc2ccccc2)cc1O.
What is the InChIKey of 2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride?
The InChIKey is LDGKXWSOGUPDLY-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H17NO3.ClH/c16-14(9-17)13-7-6-12(8-15(13)18)19-10-11-4-2-1-3-5-11;/h1-8,14,17-18H,9-10,16H2;1H/t14-;/m0./s1.
What are the key properties of 2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride?
2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride is sourced from PubChem (CID 171234127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).