2-(3-amino-2-prop-1-enylphenyl)ethanol

C11H15NO — CID 154369612

IUPAC2-(3-amino-2-prop-1-enylphenyl)ethanol
SMILESCC=Cc1c(N)cccc1CCO
InChIInChI=1S/C11H15NO/c1-2-4-10-9(7-8-13)5-3-6-11(10)12/h2-6,13H,7-8,12H2,1H3
InChIKeyQXJAUVBQQHEADJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.84
Rot. Bonds3

About 2-(3-amino-2-prop-1-enylphenyl)ethanol

2-(3-amino-2-prop-1-enylphenyl)ethanol (PubChem CID 154369612) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(3-amino-2-prop-1-enylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-amino-2-prop-1-enylphenyl)ethanol
PubChem CID154369612
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(3-amino-2-prop-1-enylphenyl)ethanol
SMILESCC=Cc1c(N)cccc1CCO
InChIInChI=1S/C11H15NO/c1-2-4-10-9(7-8-13)5-3-6-11(10)12/h2-6,13H,7-8,12H2,1H3
InChIKeyQXJAUVBQQHEADJ-UHFFFAOYSA-N
XLogP1.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-[(E)-prop-1-enyl]aniline
CID 131242530
3-octyl-2-prop-1-enylphenol
CID 70012746
3-ethyl-2-prop-1-enylphenol
CID 172751725
2-[2-(aminomethyl)-3-(2-hydroxyethyl)phenyl]ethanol
CID 23064642
4-(2,3-diaminophenyl)butan-1-ol
CID 67906249
2-[2-(2-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107711901
2-(2,5-diaminophenyl)ethanol
CID 160672831
methyl 3-(hydroxymethyl)-2-prop-1-enylbenzoate
CID 142678994
ethane;2-naphthalen-1-ylethanol
CID 145119048
2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol
CID 154291295
2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane
CID 91802357
1,2,3-tris[(Z)-prop-1-enyl]benzene
CID 173113389

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-prop-1-enylphenyl)ethanol?
The IUPAC name of 2-(3-amino-2-prop-1-enylphenyl)ethanol (CID 154369612) is 2-(3-amino-2-prop-1-enylphenyl)ethanol.
What is the SMILES notation for 2-(3-amino-2-prop-1-enylphenyl)ethanol?
The canonical SMILES for 2-(3-amino-2-prop-1-enylphenyl)ethanol is CC=Cc1c(N)cccc1CCO.
What is the InChIKey of 2-(3-amino-2-prop-1-enylphenyl)ethanol?
The InChIKey is QXJAUVBQQHEADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-4-10-9(7-8-13)5-3-6-11(10)12/h2-6,13H,7-8,12H2,1H3.
What are the key properties of 2-(3-amino-2-prop-1-enylphenyl)ethanol?
2-(3-amino-2-prop-1-enylphenyl)ethanol has a molecular weight of 177.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-prop-1-enylphenyl)ethanol is sourced from PubChem (CID 154369612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).