5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol

C16H19NO3 — CID 61047518

IUPAC5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol
SMILESCOc1ccc(C(CO)Nc2ccccc2C)cc1O
InChIInChI=1S/C16H19NO3/c1-11-5-3-4-6-13(11)17-14(10-18)12-7-8-16(20-2)15(19)9-12/h3-9,14,17-19H,10H2,1-2H3
InChIKeyUNPVTIOTQGAHKU-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.85
Rot. Bonds5

About 5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol

5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol (PubChem CID 61047518) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol
PubChem CID61047518
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol
SMILESCOc1ccc(C(CO)Nc2ccccc2C)cc1O
InChIInChI=1S/C16H19NO3/c1-11-5-3-4-6-13(11)17-14(10-18)12-7-8-16(20-2)15(19)9-12/h3-9,14,17-19H,10H2,1-2H3
InChIKeyUNPVTIOTQGAHKU-UHFFFAOYSA-N
XLogP2.85
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxy-4-methoxyphenyl)-2-(2-methylanilino)acetic acid
CID 60990827
2-(2-methoxyphenyl)-2-(2-methylanilino)ethanol
CID 61047526
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
CID 106818134
2-(4-chlorophenyl)-2-(2-methylanilino)ethanol
CID 61045329
2-(3-bromophenyl)-2-(2-methylanilino)ethanol
CID 61045334
2-[3-(difluoromethyl)phenyl]-2-(2-methylanilino)ethanol
CID 115528113
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol
CID 83230067
2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol
CID 62131550
2-methoxy-5-[1-(methylamino)propyl]phenol
CID 83830986
2-(4-methoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 62132456
5-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2-methoxyphenol
CID 63184778
2-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyanilino)acetonitrile
CID 61005779

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol?
The IUPAC name of 5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol (CID 61047518) is 5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol?
The canonical SMILES for 5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol is COc1ccc(C(CO)Nc2ccccc2C)cc1O.
What is the InChIKey of 5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol?
The InChIKey is UNPVTIOTQGAHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-5-3-4-6-13(11)17-14(10-18)12-7-8-16(20-2)15(19)9-12/h3-9,14,17-19H,10H2,1-2H3.
What are the key properties of 5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol?
5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol has a molecular weight of 273.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-1-(2-methylanilino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 61047518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).