3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol

C16H19NO2 — CID 141277151

IUPAC3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol
SMILESCc1c(O)cccc1N(CCO)Cc1ccccc1
InChIInChI=1S/C16H19NO2/c1-13-15(8-5-9-16(13)19)17(10-11-18)12-14-6-3-2-4-7-14/h2-9,18-19H,10-12H2,1H3
InChIKeyHRPVICRBPPGVGB-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.70
Rot. Bonds5

About 3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol

3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol (PubChem CID 141277151) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol.

Molecular Properties

Compound Name3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol
PubChem CID141277151
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol
SMILESCc1c(O)cccc1N(CCO)Cc1ccccc1
InChIInChI=1S/C16H19NO2/c1-13-15(8-5-9-16(13)19)17(10-11-18)12-14-6-3-2-4-7-14/h2-9,18-19H,10-12H2,1H3
InChIKeyHRPVICRBPPGVGB-UHFFFAOYSA-N
XLogP2.70
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-benzyl-3-chloro-2-nitroanilino)ethanol
CID 104838976
2-[N-benzyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62125453
2-[benzyl(2-hydroxyethyl)amino]-6-fluorobenzenecarbothioamide
CID 79517544
2-[benzyl(2-hydroxyethyl)amino]-6-bromobenzenecarboximidamide
CID 114883755
2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol
CID 113222214
2-(2-amino-N-benzyl-5-chloroanilino)ethanol
CID 115468874
3-[butyl(ethyl)amino]-2-methylphenol
CID 57208066
2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80908418
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol
CID 80984868
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805
1-N,3-N-dibenzyl-1-N,3-N-dichloro-2-methylbenzene-1,3-diamine
CID 174756588
3-(N-ethylanilino)-2-methylphenol
CID 68824539

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol?
The IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol (CID 141277151) is 3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol.
What is the SMILES notation for 3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol?
The canonical SMILES for 3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol is Cc1c(O)cccc1N(CCO)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol?
The InChIKey is HRPVICRBPPGVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-13-15(8-5-9-16(13)19)17(10-11-18)12-14-6-3-2-4-7-14/h2-9,18-19H,10-12H2,1H3.
What are the key properties of 3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol?
3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol has a molecular weight of 257.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol is sourced from PubChem (CID 141277151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).