4-[2-(trifluoromethyl)phenyl]butan-2-amine

C11H14F3N — CID 54775947

IUPAC4-[2-(trifluoromethyl)phenyl]butan-2-amine
SMILESCC(N)CCc1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-8(15)6-7-9-4-2-3-5-10(9)11(12,13)14/h2-5,8H,6-7,15H2,1H3
InChIKeyGSLMXPIXCJPTHK-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.99
Rot. Bonds3

About 4-[2-(trifluoromethyl)phenyl]butan-2-amine

4-[2-(trifluoromethyl)phenyl]butan-2-amine (PubChem CID 54775947) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)phenyl]butan-2-amine
PubChem CID54775947
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name4-[2-(trifluoromethyl)phenyl]butan-2-amine
SMILESCC(N)CCc1ccccc1C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-8(15)6-7-9-4-2-3-5-10(9)11(12,13)14/h2-5,8H,6-7,15H2,1H3
InChIKeyGSLMXPIXCJPTHK-UHFFFAOYSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol
CID 64514191
N-(3-aminobutyl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119496810
N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 64504717
1-(2-fluoropropan-2-yl)-2-(3-methylbutyl)benzene
CID 144693394
2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid
CID 151744228
3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 105145474
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
(2S)-4-phenylbutan-2-amine
CID 6994564
1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine
CID 81491313
(2R)-4-(2,3-difluorophenyl)butan-2-amine
CID 93318671

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)phenyl]butan-2-amine?
The IUPAC name of 4-[2-(trifluoromethyl)phenyl]butan-2-amine (CID 54775947) is 4-[2-(trifluoromethyl)phenyl]butan-2-amine.
What is the SMILES notation for 4-[2-(trifluoromethyl)phenyl]butan-2-amine?
The canonical SMILES for 4-[2-(trifluoromethyl)phenyl]butan-2-amine is CC(N)CCc1ccccc1C(F)(F)F.
What is the InChIKey of 4-[2-(trifluoromethyl)phenyl]butan-2-amine?
The InChIKey is GSLMXPIXCJPTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-8(15)6-7-9-4-2-3-5-10(9)11(12,13)14/h2-5,8H,6-7,15H2,1H3.
What are the key properties of 4-[2-(trifluoromethyl)phenyl]butan-2-amine?
4-[2-(trifluoromethyl)phenyl]butan-2-amine has a molecular weight of 217.23 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)phenyl]butan-2-amine is sourced from PubChem (CID 54775947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).