2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol

C16H19NO4 — CID 46307287

IUPAC2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol
SMILESCOc1cc(CO)cc(N)c1OCC(O)c1ccccc1
InChIInChI=1S/C16H19NO4/c1-20-15-8-11(9-18)7-13(17)16(15)21-10-14(19)12-5-3-2-4-6-12/h2-8,14,18-19H,9-10,17H2,1H3
InChIKeyKHCNDZOXGHBTKX-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.88
Rot. Bonds6

About 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol

2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol (PubChem CID 46307287) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol
PubChem CID46307287
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol
SMILESCOc1cc(CO)cc(N)c1OCC(O)c1ccccc1
InChIInChI=1S/C16H19NO4/c1-20-15-8-11(9-18)7-13(17)16(15)21-10-14(19)12-5-3-2-4-6-12/h2-8,14,18-19H,9-10,17H2,1H3
InChIKeyKHCNDZOXGHBTKX-UHFFFAOYSA-N
XLogP1.88
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol
CID 46307294
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol
CID 60885645
2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)ethanol
CID 46307299
2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol
CID 46307275
2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol
CID 79887645
[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
CID 43516716
[(2R)-1-hydroxybutan-2-yl]-[[4-[(2R)-2-hydroxy-2-phenylethoxy]-3-methoxyphenyl]methyl]azanium
CID 7379156
1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908
(2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol
CID 124673411
1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 107663977
1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17295818
2-[[4-(2-hydroxy-2-phenylethoxy)-3-methoxyphenyl]methylamino]butan-1-ol;hydrochloride
CID 2987379

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol?
The IUPAC name of 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol (CID 46307287) is 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol.
What is the SMILES notation for 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol?
The canonical SMILES for 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol is COc1cc(CO)cc(N)c1OCC(O)c1ccccc1.
What is the InChIKey of 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol?
The InChIKey is KHCNDZOXGHBTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-20-15-8-11(9-18)7-13(17)16(15)21-10-14(19)12-5-3-2-4-6-12/h2-8,14,18-19H,9-10,17H2,1H3.
What are the key properties of 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol?
2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol has a molecular weight of 289.33 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol is sourced from PubChem (CID 46307287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).