2-[2-(3-aminopropoxy)phenyl]ethanol

C11H17NO2 — CID 107712249

IUPAC2-[2-(3-aminopropoxy)phenyl]ethanol
SMILESNCCCOc1ccccc1CCO
InChIInChI=1S/C11H17NO2/c12-7-3-9-14-11-5-2-1-4-10(11)6-8-13/h1-2,4-5,13H,3,6-9,12H2
InChIKeyGJRYDJXFCFHVCD-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.95
Rot. Bonds6

About 2-[2-(3-aminopropoxy)phenyl]ethanol

2-[2-(3-aminopropoxy)phenyl]ethanol (PubChem CID 107712249) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[2-(3-aminopropoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(3-aminopropoxy)phenyl]ethanol
PubChem CID107712249
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[2-(3-aminopropoxy)phenyl]ethanol
SMILESNCCCOc1ccccc1CCO
InChIInChI=1S/C11H17NO2/c12-7-3-9-14-11-5-2-1-4-10(11)6-8-13/h1-2,4-5,13H,3,6-9,12H2
InChIKeyGJRYDJXFCFHVCD-UHFFFAOYSA-N
XLogP0.95
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 91657515
2-[2-(4-methoxybutoxy)phenyl]ethanol
CID 107258154
2-[2-(3-phenoxypropoxy)phenyl]ethanol
CID 107258184
2-[2-[[4-(aminomethyl)phenyl]methoxy]phenyl]ethanol
CID 107712248
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine
CID 170879208
2-[2-(3-amino-2-methylpropoxy)phenyl]ethanol
CID 107713014
3-[3-(2-ethylphenoxy)propoxy]propan-1-amine
CID 82353346
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
2-amino-4-[2-(2-hydroxyethyl)phenoxy]-2-methylbutanenitrile
CID 107713909

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropoxy)phenyl]ethanol?
The IUPAC name of 2-[2-(3-aminopropoxy)phenyl]ethanol (CID 107712249) is 2-[2-(3-aminopropoxy)phenyl]ethanol.
What is the SMILES notation for 2-[2-(3-aminopropoxy)phenyl]ethanol?
The canonical SMILES for 2-[2-(3-aminopropoxy)phenyl]ethanol is NCCCOc1ccccc1CCO.
What is the InChIKey of 2-[2-(3-aminopropoxy)phenyl]ethanol?
The InChIKey is GJRYDJXFCFHVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c12-7-3-9-14-11-5-2-1-4-10(11)6-8-13/h1-2,4-5,13H,3,6-9,12H2.
What are the key properties of 2-[2-(3-aminopropoxy)phenyl]ethanol?
2-[2-(3-aminopropoxy)phenyl]ethanol has a molecular weight of 195.26 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropoxy)phenyl]ethanol is sourced from PubChem (CID 107712249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).