5-(2-aminobutyl)-2-methylphenol;hydrochloride

C11H18ClNO — CID 2723919

IUPAC5-(2-aminobutyl)-2-methylphenol;hydrochloride
SMILESCCC(N)Cc1ccc(C)c(O)c1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-3-10(12)6-9-5-4-8(2)11(13)7-9;/h4-5,7,10,13H,3,6,12H2,1-2H3;1H
InChIKeySOQVPIWPZBXBGG-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.40
Rot. Bonds3

About 5-(2-aminobutyl)-2-methylphenol;hydrochloride

5-(2-aminobutyl)-2-methylphenol;hydrochloride (PubChem CID 2723919) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 5-(2-aminobutyl)-2-methylphenol;hydrochloride.

Molecular Properties

Compound Name5-(2-aminobutyl)-2-methylphenol;hydrochloride
PubChem CID2723919
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name5-(2-aminobutyl)-2-methylphenol;hydrochloride
SMILESCCC(N)Cc1ccc(C)c(O)c1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-3-10(12)6-9-5-4-8(2)11(13)7-9;/h4-5,7,10,13H,3,6,12H2,1-2H3;1H
InChIKeySOQVPIWPZBXBGG-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-2-methylphenol;hydrochloride?
The IUPAC name of 5-(2-aminobutyl)-2-methylphenol;hydrochloride (CID 2723919) is 5-(2-aminobutyl)-2-methylphenol;hydrochloride.
What is the SMILES notation for 5-(2-aminobutyl)-2-methylphenol;hydrochloride?
The canonical SMILES for 5-(2-aminobutyl)-2-methylphenol;hydrochloride is CCC(N)Cc1ccc(C)c(O)c1.Cl.
What is the InChIKey of 5-(2-aminobutyl)-2-methylphenol;hydrochloride?
The InChIKey is SOQVPIWPZBXBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-3-10(12)6-9-5-4-8(2)11(13)7-9;/h4-5,7,10,13H,3,6,12H2,1-2H3;1H.
What are the key properties of 5-(2-aminobutyl)-2-methylphenol;hydrochloride?
5-(2-aminobutyl)-2-methylphenol;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-2-methylphenol;hydrochloride is sourced from PubChem (CID 2723919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).