2-[4-(1-aminopropan-2-yl)phenoxy]ethanol

C11H17NO2 — CID 117285604

IUPAC2-[4-(1-aminopropan-2-yl)phenoxy]ethanol
SMILESCC(CN)c1ccc(OCCO)cc1
InChIInChI=1S/C11H17NO2/c1-9(8-12)10-2-4-11(5-3-10)14-7-6-13/h2-5,9,13H,6-8,12H2,1H3
InChIKeyAFEJMIUDIREQPC-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.12
Rot. Bonds5

About 2-[4-(1-aminopropan-2-yl)phenoxy]ethanol

2-[4-(1-aminopropan-2-yl)phenoxy]ethanol (PubChem CID 117285604) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[4-(1-aminopropan-2-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-(1-aminopropan-2-yl)phenoxy]ethanol
PubChem CID117285604
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[4-(1-aminopropan-2-yl)phenoxy]ethanol
SMILESCC(CN)c1ccc(OCCO)cc1
InChIInChI=1S/C11H17NO2/c1-9(8-12)10-2-4-11(5-3-10)14-7-6-13/h2-5,9,13H,6-8,12H2,1H3
InChIKeyAFEJMIUDIREQPC-UHFFFAOYSA-N
XLogP1.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol
CID 20544404
CID 162335780
CID 162335780
2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine
CID 105350533
2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine
CID 105350241
2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine
CID 105350465
3,4-bis[2-[4-(2-hydroxyethoxy)phenyl]propyl]benzene-1,2-diol
CID 172792943
1-[4-(2-fluoroethoxy)phenyl]ethanol
CID 80502586
2-(4-phenoxyphenyl)propan-1-amine
CID 16736129
(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine
CID 80699771
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
4-[4-(1-aminopropan-2-yl)phenoxy]benzonitrile
CID 116996793
2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol
CID 78937234

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopropan-2-yl)phenoxy]ethanol?
The IUPAC name of 2-[4-(1-aminopropan-2-yl)phenoxy]ethanol (CID 117285604) is 2-[4-(1-aminopropan-2-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[4-(1-aminopropan-2-yl)phenoxy]ethanol?
The canonical SMILES for 2-[4-(1-aminopropan-2-yl)phenoxy]ethanol is CC(CN)c1ccc(OCCO)cc1.
What is the InChIKey of 2-[4-(1-aminopropan-2-yl)phenoxy]ethanol?
The InChIKey is AFEJMIUDIREQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(8-12)10-2-4-11(5-3-10)14-7-6-13/h2-5,9,13H,6-8,12H2,1H3.
What are the key properties of 2-[4-(1-aminopropan-2-yl)phenoxy]ethanol?
2-[4-(1-aminopropan-2-yl)phenoxy]ethanol has a molecular weight of 195.26 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopropan-2-yl)phenoxy]ethanol is sourced from PubChem (CID 117285604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).