4-(1-aminobut-3-enyl)-2-methoxyphenol

C11H15NO2 — CID 55295606

IUPAC4-(1-aminobut-3-enyl)-2-methoxyphenol
SMILESC=CCC(N)c1ccc(O)c(OC)c1
InChIInChI=1S/C11H15NO2/c1-3-4-9(12)8-5-6-10(13)11(7-8)14-2/h3,5-7,9,13H,1,4,12H2,2H3
InChIKeyQYWAPDLLCWJFHA-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.98
Rot. Bonds4

About 4-(1-aminobut-3-enyl)-2-methoxyphenol

4-(1-aminobut-3-enyl)-2-methoxyphenol (PubChem CID 55295606) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(1-aminobut-3-enyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(1-aminobut-3-enyl)-2-methoxyphenol
PubChem CID55295606
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(1-aminobut-3-enyl)-2-methoxyphenol
SMILESC=CCC(N)c1ccc(O)c(OC)c1
InChIInChI=1S/C11H15NO2/c1-3-4-9(12)8-5-6-10(13)11(7-8)14-2/h3,5-7,9,13H,1,4,12H2,2H3
InChIKeyQYWAPDLLCWJFHA-UHFFFAOYSA-N
XLogP1.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(3,4-dimethoxyphenyl)but-3-en-1-amine
CID 11521312
4-[(1R)-1-aminobut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171200827
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
(1S)-1-(3-methoxy-4-methylphenyl)but-3-en-1-amine;hydrochloride
CID 171225026
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633
(1R)-1-(3-chloro-4-methoxyphenyl)but-3-en-1-amine
CID 170896629
4-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189
4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol
CID 55272146
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride
CID 171222654
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminobut-3-enyl)-2-methoxyphenol?
The IUPAC name of 4-(1-aminobut-3-enyl)-2-methoxyphenol (CID 55295606) is 4-(1-aminobut-3-enyl)-2-methoxyphenol.
What is the SMILES notation for 4-(1-aminobut-3-enyl)-2-methoxyphenol?
The canonical SMILES for 4-(1-aminobut-3-enyl)-2-methoxyphenol is C=CCC(N)c1ccc(O)c(OC)c1.
What is the InChIKey of 4-(1-aminobut-3-enyl)-2-methoxyphenol?
The InChIKey is QYWAPDLLCWJFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-4-9(12)8-5-6-10(13)11(7-8)14-2/h3,5-7,9,13H,1,4,12H2,2H3.
What are the key properties of 4-(1-aminobut-3-enyl)-2-methoxyphenol?
4-(1-aminobut-3-enyl)-2-methoxyphenol has a molecular weight of 193.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminobut-3-enyl)-2-methoxyphenol is sourced from PubChem (CID 55295606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).