3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine

C14H19F4N — CID 107290720

IUPAC3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H19F4N/c1-9(2)19-7-6-10(3)11-4-5-12(13(15)8-11)14(16,17)18/h4-5,8-10,19H,6-7H2,1-3H3
InChIKeyAMWSMRZFPJRHSV-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.34
Rot. Bonds5

About 3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine

3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine (PubChem CID 107290720) has the molecular formula C14H19F4N and a molecular weight of 277.31 g/mol. Its IUPAC name is 3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine
PubChem CID107290720
Molecular FormulaC14H19F4N
Molecular Weight277.31 g/mol
Exact Mass277.15
IUPAC Name3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H19F4N/c1-9(2)19-7-6-10(3)11-4-5-12(13(15)8-11)14(16,17)18/h4-5,8-10,19H,6-7H2,1-3H3
InChIKeyAMWSMRZFPJRHSV-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butan-2-yl-2-fluoro-1-(trifluoromethyl)benzene
CID 90930797
4-(4-chloropentan-2-yl)-2-fluoro-1-(trifluoromethyl)benzene
CID 107290340
N-ethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
CID 107290717
3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylbutan-1-amine
CID 107290731
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxy-N-propylbutan-1-amine
CID 107289310
(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
CID 171209484
1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol
CID 107287355
2,2-diethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107289129
2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine
CID 107289370
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine
CID 107288862
4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 107289147
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine (CID 107290720) is 3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine?
The InChIKey is AMWSMRZFPJRHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N/c1-9(2)19-7-6-10(3)11-4-5-12(13(15)8-11)14(16,17)18/h4-5,8-10,19H,6-7H2,1-3H3.
What are the key properties of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine?
3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine has a molecular weight of 277.31 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 107290720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).