4-(1-aminobutyl)-2-(trifluoromethyl)phenol

C11H14F3NO — CID 171922232

IUPAC4-(1-aminobutyl)-2-(trifluoromethyl)phenol
SMILESCCCC(N)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-2-3-9(15)7-4-5-10(16)8(6-7)11(12,13)14/h4-6,9,16H,2-3,15H2,1H3
InChIKeyINIASVFULUOEPH-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.21
Rot. Bonds3

About 4-(1-aminobutyl)-2-(trifluoromethyl)phenol

4-(1-aminobutyl)-2-(trifluoromethyl)phenol (PubChem CID 171922232) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-(1-aminobutyl)-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(1-aminobutyl)-2-(trifluoromethyl)phenol
PubChem CID171922232
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name4-(1-aminobutyl)-2-(trifluoromethyl)phenol
SMILESCCCC(N)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-2-3-9(15)7-4-5-10(16)8(6-7)11(12,13)14/h4-6,9,16H,2-3,15H2,1H3
InChIKeyINIASVFULUOEPH-UHFFFAOYSA-N
XLogP3.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
CID 77277521
1-[4-bromo-3-(trifluoromethyl)phenyl]butan-1-amine
CID 114982015
(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207635
4-[(1R)-1-aminobutyl]benzene-1,2-diol
CID 130624764
4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride
CID 171198748
4-[(1R)-1-aminobutyl]-2-bromophenol;hydrochloride
CID 171204277
(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171202599
4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol
CID 150882903
1-[4-bromo-3-(trifluoromethyl)phenyl]heptan-1-amine
CID 115833310
5-[(1R)-1-aminobutyl]-2-methoxyphenol
CID 162344326
4-[(1S)-1-aminopentyl]-2-methylphenol
CID 171145513
5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride
CID 162344324

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminobutyl)-2-(trifluoromethyl)phenol?
The IUPAC name of 4-(1-aminobutyl)-2-(trifluoromethyl)phenol (CID 171922232) is 4-(1-aminobutyl)-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(1-aminobutyl)-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-(1-aminobutyl)-2-(trifluoromethyl)phenol is CCCC(N)c1ccc(O)c(C(F)(F)F)c1.
What is the InChIKey of 4-(1-aminobutyl)-2-(trifluoromethyl)phenol?
The InChIKey is INIASVFULUOEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-2-3-9(15)7-4-5-10(16)8(6-7)11(12,13)14/h4-6,9,16H,2-3,15H2,1H3.
What are the key properties of 4-(1-aminobutyl)-2-(trifluoromethyl)phenol?
4-(1-aminobutyl)-2-(trifluoromethyl)phenol has a molecular weight of 233.23 g/mol, XLogP of 3.21, 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-(trifluoromethyl)phenol is sourced from PubChem (CID 171922232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).