2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol

C11H14F3NO — CID 43566144

IUPAC2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol
SMILESCCC(N)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-2-9(15)10(16)7-3-5-8(6-4-7)11(12,13)14/h3-6,9-10,16H,2,15H2,1H3
InChIKeyDBHGTVSFCLFFJL-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.48
Rot. Bonds3

About 2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol

2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol (PubChem CID 43566144) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol
PubChem CID43566144
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol
SMILESCCC(N)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-2-9(15)10(16)7-3-5-8(6-4-7)11(12,13)14/h3-6,9-10,16H,2,15H2,1H3
InChIKeyDBHGTVSFCLFFJL-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
2-amino-1-(4-propan-2-ylphenyl)butan-1-ol
CID 43566119
2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 22261902
(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol
CID 79016422
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
(1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 129373286
(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171160389
(2S)-2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79024381
2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 43711976
5-(2-amino-1-hydroxybutyl)-2-fluorophenol
CID 123621171

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol?
The IUPAC name of 2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol (CID 43566144) is 2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol.
What is the SMILES notation for 2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol?
The canonical SMILES for 2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol is CCC(N)C(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol?
The InChIKey is DBHGTVSFCLFFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-2-9(15)10(16)7-3-5-8(6-4-7)11(12,13)14/h3-6,9-10,16H,2,15H2,1H3.
What are the key properties of 2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol?
2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol has a molecular weight of 233.23 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol is sourced from PubChem (CID 43566144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).