2-[(Z)-1-aminobut-1-enyl]-4-methylphenol

C11H15NO — CID 142053598

IUPAC2-[(Z)-1-aminobut-1-enyl]-4-methylphenol
SMILESCC/C=C(\N)c1cc(C)ccc1O
InChIInChI=1S/C11H15NO/c1-3-4-10(12)9-7-8(2)5-6-11(9)13/h4-7,13H,3,12H2,1-2H3/b10-4-
InChIKeyHQMHNGQMWPIHMI-WMZJFQQLSA-N
MW177.25 g/mol
LogP2.41
Rot. Bonds2

About 2-[(Z)-1-aminobut-1-enyl]-4-methylphenol

2-[(Z)-1-aminobut-1-enyl]-4-methylphenol (PubChem CID 142053598) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-[(Z)-1-aminobut-1-enyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(Z)-1-aminobut-1-enyl]-4-methylphenol
PubChem CID142053598
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-[(Z)-1-aminobut-1-enyl]-4-methylphenol
SMILESCC/C=C(\N)c1cc(C)ccc1O
InChIInChI=1S/C11H15NO/c1-3-4-10(12)9-7-8(2)5-6-11(9)13/h4-7,13H,3,12H2,1-2H3/b10-4-
InChIKeyHQMHNGQMWPIHMI-WMZJFQQLSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-but-1-en-2-yl-4-methylphenol
CID 142975945
1-(2-hydroxy-5-methylphenyl)butan-1-one
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(E)-4-(dimethylamino)-2-(2-hydroxy-5-methylphenyl)but-2-enal
CID 175554598
2-(2-aminoethanimidoyl)-4-methylphenol
CID 142030299
(Z)-1-(2,5-dimethylphenyl)prop-1-en-1-amine
CID 144516209
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 61119206
2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol
CID 137181033
potassium 2-hydroxy-5-methylbenzoate
CID 67847974
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol
CID 135641577
1-(2-hydroxy-5-methylphenyl)dodecan-1-one
CID 158719542
1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone
CID 82600157
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-hydroxy-5-methylbenzamide
CID 61121293

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-aminobut-1-enyl]-4-methylphenol?
The IUPAC name of 2-[(Z)-1-aminobut-1-enyl]-4-methylphenol (CID 142053598) is 2-[(Z)-1-aminobut-1-enyl]-4-methylphenol.
What is the SMILES notation for 2-[(Z)-1-aminobut-1-enyl]-4-methylphenol?
The canonical SMILES for 2-[(Z)-1-aminobut-1-enyl]-4-methylphenol is CC/C=C(\N)c1cc(C)ccc1O.
What is the InChIKey of 2-[(Z)-1-aminobut-1-enyl]-4-methylphenol?
The InChIKey is HQMHNGQMWPIHMI-WMZJFQQLSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-4-10(12)9-7-8(2)5-6-11(9)13/h4-7,13H,3,12H2,1-2H3/b10-4-.
What are the key properties of 2-[(Z)-1-aminobut-1-enyl]-4-methylphenol?
2-[(Z)-1-aminobut-1-enyl]-4-methylphenol has a molecular weight of 177.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-aminobut-1-enyl]-4-methylphenol is sourced from PubChem (CID 142053598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).