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

C15H17NO2 — CID 70462198

IUPAC2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol
SMILESCc1ccc(Oc2ccccc2CCO)c(N)c1
InChIInChI=1S/C15H17NO2/c1-11-6-7-15(13(16)10-11)18-14-5-3-2-4-12(14)8-9-17/h2-7,10,17H,8-9,16H2,1H3
InChIKeySUIJXUXZEKLUOC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.90
Rot. Bonds4

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

2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol (PubChem CID 70462198) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol
PubChem CID70462198
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol
SMILESCc1ccc(Oc2ccccc2CCO)c(N)c1
InChIInChI=1S/C15H17NO2/c1-11-6-7-15(13(16)10-11)18-14-5-3-2-4-12(14)8-9-17/h2-7,10,17H,8-9,16H2,1H3
InChIKeySUIJXUXZEKLUOC-UHFFFAOYSA-N
XLogP2.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol
CID 107926570
3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid
CID 107713832
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-(4-amino-2-iodophenoxy)phenyl]ethanol
CID 107712058
2-[2-(2-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107711901
2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 107711923
4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide
CID 107711871
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107712102
2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107712098
[2-(2,4-dimethylphenoxy)phenyl]methanamine
CID 19627395

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol?
The IUPAC name of 2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol (CID 70462198) is 2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol.
What is the SMILES notation for 2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol?
The canonical SMILES for 2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol is Cc1ccc(Oc2ccccc2CCO)c(N)c1.
What is the InChIKey of 2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol?
The InChIKey is SUIJXUXZEKLUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-6-7-15(13(16)10-11)18-14-5-3-2-4-12(14)8-9-17/h2-7,10,17H,8-9,16H2,1H3.
What are the key properties of 2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol?
2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol has a molecular weight of 243.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol is sourced from PubChem (CID 70462198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).