2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)ethanol

C18H23NO5 — CID 46307299

IUPAC2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)ethanol
SMILESCOc1ccc(C(O)COc2c(N)cc(CO)cc2OC)cc1C
InChIInChI=1S/C18H23NO5/c1-11-6-13(4-5-16(11)22-2)15(21)10-24-18-14(19)7-12(9-20)8-17(18)23-3/h4-8,15,20-21H,9-10,19H2,1-3H3
InChIKeyVJNSBNWZMLPDRB-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.20
Rot. Bonds7

About 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)ethanol

2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)ethanol (PubChem CID 46307299) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)ethanol
PubChem CID46307299
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)ethanol
SMILESCOc1ccc(C(O)COc2c(N)cc(CO)cc2OC)cc1C
InChIInChI=1S/C18H23NO5/c1-11-6-13(4-5-16(11)22-2)15(21)10-24-18-14(19)7-12(9-20)8-17(18)23-3/h4-8,15,20-21H,9-10,19H2,1-3H3
InChIKeyVJNSBNWZMLPDRB-UHFFFAOYSA-N
XLogP2.20
TPSA94.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.20
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-(4-methoxyphenyl)ethanol
CID 46307294
2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(3,4-dichlorophenyl)ethanol
CID 46307275
2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol
CID 46307287
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-1-phenylethanol
CID 60885645
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
2-(4-bromophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081846
(1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol
CID 96823282
5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide
CID 112510105
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
1-(4-methoxy-3-methylphenyl)decan-1-ol
CID 65148116
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 61080511
2-cycloheptyl-1-(4-methoxy-3-methylphenyl)ethanol
CID 114458561

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)ethanol?
The IUPAC name of 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)ethanol (CID 46307299) is 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)ethanol.
What is the SMILES notation for 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)ethanol?
The canonical SMILES for 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)ethanol is COc1ccc(C(O)COc2c(N)cc(CO)cc2OC)cc1C.
What is the InChIKey of 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)ethanol?
The InChIKey is VJNSBNWZMLPDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-11-6-13(4-5-16(11)22-2)15(21)10-24-18-14(19)7-12(9-20)8-17(18)23-3/h4-8,15,20-21H,9-10,19H2,1-3H3.
What are the key properties of 2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)ethanol?
2-[2-amino-4-(hydroxymethyl)-6-methoxyphenoxy]-1-(4-methoxy-3-methylphenyl)ethanol has a molecular weight of 333.38 g/mol, XLogP of 2.20, 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-methoxy-3-methylphenyl)ethanol is sourced from PubChem (CID 46307299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).