2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol

C16H19NO2 — CID 107926570

IUPAC2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol
SMILESCc1ccc(Oc2ccccc2CCO)c(CN)c1
InChIInChI=1S/C16H19NO2/c1-12-6-7-16(14(10-12)11-17)19-15-5-3-2-4-13(15)8-9-18/h2-7,10,18H,8-9,11,17H2,1H3
InChIKeyZQNMTGYISSXUNF-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.78
Rot. Bonds5

About 2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol

2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol (PubChem CID 107926570) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol
PubChem CID107926570
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol
SMILESCc1ccc(Oc2ccccc2CCO)c(CN)c1
InChIInChI=1S/C16H19NO2/c1-12-6-7-16(14(10-12)11-17)19-15-5-3-2-4-13(15)8-9-18/h2-7,10,18H,8-9,11,17H2,1H3
InChIKeyZQNMTGYISSXUNF-UHFFFAOYSA-N
XLogP2.78
TPSA55.48 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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol
CID 70462198
[2-(2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926487
[2-(2,4-dimethylphenoxy)phenyl]methanamine
CID 19627395
2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzenecarbothioamide
CID 107712493
2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide
CID 107713704
2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile
CID 107712429
2-[2-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol
CID 107711772
[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine
CID 114016683
2-[2-(4-amino-2-iodophenoxy)phenyl]ethanol
CID 107712058
[2-(2-fluorophenoxy)-5-methylphenyl]methanol
CID 114054543
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol
CID 107712993

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol (CID 107926570) is 2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol is Cc1ccc(Oc2ccccc2CCO)c(CN)c1.
What is the InChIKey of 2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol?
The InChIKey is ZQNMTGYISSXUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-6-7-16(14(10-12)11-17)19-15-5-3-2-4-13(15)8-9-18/h2-7,10,18H,8-9,11,17H2,1H3.
What are the key properties of 2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol?
2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol has a molecular weight of 257.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol is sourced from PubChem (CID 107926570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).