3-(4-aminobut-1-enyl)-4-methylphenol

C11H15NO — CID 170486573

IUPAC3-(4-aminobut-1-enyl)-4-methylphenol
SMILESCc1ccc(O)cc1C=CCCN
InChIInChI=1S/C11H15NO/c1-9-5-6-11(13)8-10(9)4-2-3-7-12/h2,4-6,8,13H,3,7,12H2,1H3
InChIKeyGDLVTBPTCAXNDI-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.06
Rot. Bonds3

About 3-(4-aminobut-1-enyl)-4-methylphenol

3-(4-aminobut-1-enyl)-4-methylphenol (PubChem CID 170486573) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(4-aminobut-1-enyl)-4-methylphenol.

Molecular Properties

Compound Name3-(4-aminobut-1-enyl)-4-methylphenol
PubChem CID170486573
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(4-aminobut-1-enyl)-4-methylphenol
SMILESCc1ccc(O)cc1C=CCCN
InChIInChI=1S/C11H15NO/c1-9-5-6-11(13)8-10(9)4-2-3-7-12/h2,4-6,8,13H,3,7,12H2,1H3
InChIKeyGDLVTBPTCAXNDI-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3-Dimethylphenol
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m-Tyramine
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Hydroxyamfetamine
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N-Methyltyramine
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Hydroxyamphetamine Hydrobromide
CID 9377
Tyramine hydrochloride
CID 66449
3-Methyl-4-isopropylphenol
CID 18597
P-Tyramine
CID 5249538
4-(2-Azaniumylethyl)-2-hydroxyphenolate
CID 177477135

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobut-1-enyl)-4-methylphenol?
The IUPAC name of 3-(4-aminobut-1-enyl)-4-methylphenol (CID 170486573) is 3-(4-aminobut-1-enyl)-4-methylphenol.
What is the SMILES notation for 3-(4-aminobut-1-enyl)-4-methylphenol?
The canonical SMILES for 3-(4-aminobut-1-enyl)-4-methylphenol is Cc1ccc(O)cc1C=CCCN.
What is the InChIKey of 3-(4-aminobut-1-enyl)-4-methylphenol?
The InChIKey is GDLVTBPTCAXNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-5-6-11(13)8-10(9)4-2-3-7-12/h2,4-6,8,13H,3,7,12H2,1H3.
What are the key properties of 3-(4-aminobut-1-enyl)-4-methylphenol?
3-(4-aminobut-1-enyl)-4-methylphenol has a molecular weight of 177.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobut-1-enyl)-4-methylphenol is sourced from PubChem (CID 170486573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).