2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol

C12H19NO2 — CID 107713014

IUPAC2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol
SMILESCC(CN)COc1ccccc1CCO
InChIInChI=1S/C12H19NO2/c1-10(8-13)9-15-12-5-3-2-4-11(12)6-7-14/h2-5,10,14H,6-9,13H2,1H3
InChIKeyKESFUPFMMBBNJO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.20
Rot. Bonds6

About 2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol

2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol (PubChem CID 107713014) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol
PubChem CID107713014
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol
SMILESCC(CN)COc1ccccc1CCO
InChIInChI=1S/C12H19NO2/c1-10(8-13)9-15-12-5-3-2-4-11(12)6-7-14/h2-5,10,14H,6-9,13H2,1H3
InChIKeyKESFUPFMMBBNJO-UHFFFAOYSA-N
XLogP1.20
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[3-(ethylamino)-2-methylpropoxy]phenyl]ethanol
CID 107713005
2-[2-(2-methoxypropoxy)phenyl]ethanol
CID 107713250
2-[2-(2,2-diethoxyethoxy)phenyl]ethanol
CID 58168566
2-[2-(2-methylpentoxy)phenyl]ethanamine
CID 62266954
2-amino-3-[2-(2-hydroxyethyl)phenoxy]propanoic acid
CID 107711556
2-[2-(3-aminopropoxy)phenyl]ethanol
CID 107712249
2-(2-but-2-ynoxyphenyl)ethanol
CID 107258140
3-[2-(2-hydroxyethyl)phenoxy]-2-(methylamino)propanenitrile
CID 107713929
2-[2-[[4-(aminomethyl)phenyl]methoxy]phenyl]ethanol
CID 107712248
4-[2-(2-methylpropoxy)phenyl]butan-1-amine
CID 83932463
3,3,3-trifluoro-2-[[2-(2-hydroxyethyl)phenoxy]methyl]propanethioamide
CID 107712519
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol?
The IUPAC name of 2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol (CID 107713014) is 2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol.
What is the SMILES notation for 2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol?
The canonical SMILES for 2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol is CC(CN)COc1ccccc1CCO.
What is the InChIKey of 2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol?
The InChIKey is KESFUPFMMBBNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(8-13)9-15-12-5-3-2-4-11(12)6-7-14/h2-5,10,14H,6-9,13H2,1H3.
What are the key properties of 2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol?
2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol is sourced from PubChem (CID 107713014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).