4-(1-aminobutyl)-2,6-dimethylphenol

C12H19NO — CID 55296178

IUPAC4-(1-aminobutyl)-2,6-dimethylphenol
SMILESCCCC(N)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C12H19NO/c1-4-5-11(13)10-6-8(2)12(14)9(3)7-10/h6-7,11,14H,4-5,13H2,1-3H3
InChIKeyACFWQRUHEKUCTO-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.81
Rot. Bonds3

About 4-(1-aminobutyl)-2,6-dimethylphenol

4-(1-aminobutyl)-2,6-dimethylphenol (PubChem CID 55296178) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(1-aminobutyl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(1-aminobutyl)-2,6-dimethylphenol
PubChem CID55296178
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(1-aminobutyl)-2,6-dimethylphenol
SMILESCCCC(N)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C12H19NO/c1-4-5-11(13)10-6-8(2)12(14)9(3)7-10/h6-7,11,14H,4-5,13H2,1-3H3
InChIKeyACFWQRUHEKUCTO-UHFFFAOYSA-N
XLogP2.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-aminobutyl]-2,6-diiodophenol
CID 130705727
4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol
CID 15570439
4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol
CID 66516147
4-[(1R,2S)-1-amino-2-hydroxypentyl]-2,6-dimethylphenol;hydrochloride
CID 171262455
5-[(1S)-1-aminobutyl]benzene-1,3-diol;hydrochloride
CID 171219418
2-[(1S)-1-aminobutyl]-4,6-dimethylphenol
CID 130920909
4-[(1S)-1-amino-3-methylbutyl]-2,6-dimethylphenol;hydrochloride
CID 171224632
4-[(1R)-1-amino-3,3-difluoropropyl]-2,6-dimethylphenol
CID 131374162
2-[(1R)-1-aminobutyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205406
1-(4-bromo-3,5-dimethylphenyl)heptan-1-amine
CID 114330157
4-[(1R)-1-amino-3-methylbut-3-enyl]-2,6-dimethylphenol;hydrochloride
CID 171205077
5-[(1R)-1-aminobutyl]pyridin-3-ol
CID 55276968

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminobutyl)-2,6-dimethylphenol?
The IUPAC name of 4-(1-aminobutyl)-2,6-dimethylphenol (CID 55296178) is 4-(1-aminobutyl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(1-aminobutyl)-2,6-dimethylphenol?
The canonical SMILES for 4-(1-aminobutyl)-2,6-dimethylphenol is CCCC(N)c1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-(1-aminobutyl)-2,6-dimethylphenol?
The InChIKey is ACFWQRUHEKUCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-11(13)10-6-8(2)12(14)9(3)7-10/h6-7,11,14H,4-5,13H2,1-3H3.
What are the key properties of 4-(1-aminobutyl)-2,6-dimethylphenol?
4-(1-aminobutyl)-2,6-dimethylphenol has a molecular weight of 193.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminobutyl)-2,6-dimethylphenol is sourced from PubChem (CID 55296178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).