5-(4-aminobut-1-enyl)-2-methylphenol

C11H15NO — CID 170486582

IUPAC5-(4-aminobut-1-enyl)-2-methylphenol
SMILESCc1ccc(C=CCCN)cc1O
InChIInChI=1S/C11H15NO/c1-9-5-6-10(8-11(9)13)4-2-3-7-12/h2,4-6,8,13H,3,7,12H2,1H3
InChIKeyNALANUBGMCAWKI-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.06
Rot. Bonds3

About 5-(4-aminobut-1-enyl)-2-methylphenol

5-(4-aminobut-1-enyl)-2-methylphenol (PubChem CID 170486582) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-(4-aminobut-1-enyl)-2-methylphenol.

Molecular Properties

Compound Name5-(4-aminobut-1-enyl)-2-methylphenol
PubChem CID170486582
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5-(4-aminobut-1-enyl)-2-methylphenol
SMILESCc1ccc(C=CCCN)cc1O
InChIInChI=1S/C11H15NO/c1-9-5-6-10(8-11(9)13)4-2-3-7-12/h2,4-6,8,13H,3,7,12H2,1H3
InChIKeyNALANUBGMCAWKI-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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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobut-1-enyl)-2-methylphenol?
The IUPAC name of 5-(4-aminobut-1-enyl)-2-methylphenol (CID 170486582) is 5-(4-aminobut-1-enyl)-2-methylphenol.
What is the SMILES notation for 5-(4-aminobut-1-enyl)-2-methylphenol?
The canonical SMILES for 5-(4-aminobut-1-enyl)-2-methylphenol is Cc1ccc(C=CCCN)cc1O.
What is the InChIKey of 5-(4-aminobut-1-enyl)-2-methylphenol?
The InChIKey is NALANUBGMCAWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-5-6-10(8-11(9)13)4-2-3-7-12/h2,4-6,8,13H,3,7,12H2,1H3.
What are the key properties of 5-(4-aminobut-1-enyl)-2-methylphenol?
5-(4-aminobut-1-enyl)-2-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 5-(4-aminobut-1-enyl)-2-methylphenol is sourced from PubChem (CID 170486582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).