3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol

C11H14F3NO2 — CID 81463053

IUPAC3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
SMILESCC(N)CC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO2/c1-7(15)6-10(16)8-2-4-9(5-3-8)17-11(12,13)14/h2-5,7,10,16H,6,15H2,1H3
InChIKeyOJHVKOKPSXGLQZ-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.36
Rot. Bonds4

About 3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol

3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol (PubChem CID 81463053) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol.

Molecular Properties

Compound Name3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
PubChem CID81463053
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
SMILESCC(N)CC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO2/c1-7(15)6-10(16)8-2-4-9(5-3-8)17-11(12,13)14/h2-5,7,10,16H,6,15H2,1H3
InChIKeyOJHVKOKPSXGLQZ-UHFFFAOYSA-N
XLogP2.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol
CID 65148408
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
5-hydroxy-3-methyl-5-[4-(trifluoromethoxy)phenyl]pentanoic acid
CID 62941484
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 64718513
2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 79566446
ethyl 3-hydroxy-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 62393974
2-methyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 105005386
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
(1R,3S)-3-amino-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-ol
CID 171236930
(1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171313749

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol?
The IUPAC name of 3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol (CID 81463053) is 3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol.
What is the SMILES notation for 3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol?
The canonical SMILES for 3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol is CC(N)CC(O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol?
The InChIKey is OJHVKOKPSXGLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-7(15)6-10(16)8-2-4-9(5-3-8)17-11(12,13)14/h2-5,7,10,16H,6,15H2,1H3.
What are the key properties of 3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol?
3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol has a molecular weight of 249.23 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol is sourced from PubChem (CID 81463053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).