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

C17H21NO5 — CID 46307294

IUPAC2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)COc2c(N)cc(CO)cc2OC)cc1
InChIInChI=1S/C17H21NO5/c1-21-13-5-3-12(4-6-13)15(20)10-23-17-14(18)7-11(9-19)8-16(17)22-2/h3-8,15,19-20H,9-10,18H2,1-2H3
InChIKeyZXXAXFINZLFDLX-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.89
Rot. Bonds7

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

2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol (PubChem CID 46307294) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol
PubChem CID46307294
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)COc2c(N)cc(CO)cc2OC)cc1
InChIInChI=1S/C17H21NO5/c1-21-13-5-3-12(4-6-13)15(20)10-23-17-14(18)7-11(9-19)8-16(17)22-2/h3-8,15,19-20H,9-10,18H2,1-2H3
InChIKeyZXXAXFINZLFDLX-UHFFFAOYSA-N
XLogP1.89
TPSA94.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-phenylethanol
CID 46307287
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-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol
CID 60885645
(2S)-3-(2-amino-4,6-dimethoxyphenoxy)propane-1,2-diol
CID 124673411
4-[1-hydroxy-2-(4-methoxyphenoxy)ethyl]phenol
CID 117244685
2-(3,5-difluorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 62783768
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908
2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 117244582
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685
(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 91678444

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol (CID 46307294) is 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)COc2c(N)cc(CO)cc2OC)cc1.
What is the InChIKey of 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol?
The InChIKey is ZXXAXFINZLFDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-21-13-5-3-12(4-6-13)15(20)10-23-17-14(18)7-11(9-19)8-16(17)22-2/h3-8,15,19-20H,9-10,18H2,1-2H3.
What are the key properties of 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol?
2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol has a molecular weight of 319.36 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 46307294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).