2-[3-(4-aminobut-1-enyl)phenyl]ethanol

C12H17NO — CID 170486870

IUPAC2-[3-(4-aminobut-1-enyl)phenyl]ethanol
SMILESNCCC=Cc1cccc(CCO)c1
InChIInChI=1S/C12H17NO/c13-8-2-1-4-11-5-3-6-12(10-11)7-9-14/h1,3-6,10,14H,2,7-9,13H2
InChIKeyMBBPGSRRRSAHOX-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.58
Rot. Bonds5

About 2-[3-(4-aminobut-1-enyl)phenyl]ethanol

2-[3-(4-aminobut-1-enyl)phenyl]ethanol (PubChem CID 170486870) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[3-(4-aminobut-1-enyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(4-aminobut-1-enyl)phenyl]ethanol
PubChem CID170486870
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[3-(4-aminobut-1-enyl)phenyl]ethanol
SMILESNCCC=Cc1cccc(CCO)c1
InChIInChI=1S/C12H17NO/c13-8-2-1-4-11-5-3-6-12(10-11)7-9-14/h1,3-6,10,14H,2,7-9,13H2
InChIKeyMBBPGSRRRSAHOX-UHFFFAOYSA-N
XLogP1.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(5-phenylpent-1-enyl)phenyl]ethanol
CID 54163257
(E)-4-[3-(2-methylpropyl)phenyl]but-3-en-1-amine
CID 116546322
N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide
CID 169465370
2-[3-(2-aminoethyl)phenyl]ethanol
CID 2749894
(Z)-4-(3-chlorophenyl)but-3-en-1-amine
CID 58679830
3-(4-aminobut-1-enyl)-N-methylaniline
CID 57197878
3-[(E)-4-aminobut-1-enyl]-N-methylaniline
CID 21184900
methyl 2-[3-(4-hydroxybut-1-enyl)phenyl]acetate
CID 170477090
3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol
CID 150777752
methyl 3-(4-aminobut-1-enyl)benzoate
CID 170487184
3-[3-(3-hydroxyprop-1-enyl)phenyl]propanoic acid
CID 169453778
[3-[(E)-oct-1-enyl]phenyl]methanol
CID 11298937

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminobut-1-enyl)phenyl]ethanol?
The IUPAC name of 2-[3-(4-aminobut-1-enyl)phenyl]ethanol (CID 170486870) is 2-[3-(4-aminobut-1-enyl)phenyl]ethanol.
What is the SMILES notation for 2-[3-(4-aminobut-1-enyl)phenyl]ethanol?
The canonical SMILES for 2-[3-(4-aminobut-1-enyl)phenyl]ethanol is NCCC=Cc1cccc(CCO)c1.
What is the InChIKey of 2-[3-(4-aminobut-1-enyl)phenyl]ethanol?
The InChIKey is MBBPGSRRRSAHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-8-2-1-4-11-5-3-6-12(10-11)7-9-14/h1,3-6,10,14H,2,7-9,13H2.
What are the key properties of 2-[3-(4-aminobut-1-enyl)phenyl]ethanol?
2-[3-(4-aminobut-1-enyl)phenyl]ethanol has a molecular weight of 191.27 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminobut-1-enyl)phenyl]ethanol is sourced from PubChem (CID 170486870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).