N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline

C17H18F3N — CID 43098311

IUPACN-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline
SMILESCC(CCc1ccccc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3N/c1-13(11-12-14-7-3-2-4-8-14)21-16-10-6-5-9-15(16)17(18,19)20/h2-10,13,21H,11-12H2,1H3
InChIKeyVPQJHTJJPUZZAJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP5.14
Rot. Bonds5

About N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline

N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline (PubChem CID 43098311) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline
PubChem CID43098311
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC NameN-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline
SMILESCC(CCc1ccccc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3N/c1-13(11-12-14-7-3-2-4-8-14)21-16-10-6-5-9-15(16)17(18,19)20/h2-10,13,21H,11-12H2,1H3
InChIKeyVPQJHTJJPUZZAJ-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.33
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-octan-2-yl-2-(trifluoromethyl)aniline
CID 43129732
2-ethylsulfanyl-N-(4-phenylbutan-2-yl)aniline
CID 63453526
N-(4-phenylbutan-2-yl)quinolin-8-amine
CID 43098678
2,5-difluoro-4-methyl-N-(4-phenylbutan-2-yl)aniline
CID 103585001
2,5-dimethyl-N-(4-phenylbutan-2-yl)aniline
CID 43094637
2-bromo-5-fluoro-N-(4-phenylbutan-2-yl)aniline
CID 107632948
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
(4-phenylbutan-2-ylamino) thiohypofluorite
CID 138664614
4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-N-(4-phenylbutan-2-yl)piperazine-1-carboxamide
CID 55457980
5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 107591356
4-chloro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43104795
4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43717102

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline (CID 43098311) is N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline is CC(CCc1ccccc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline?
The InChIKey is VPQJHTJJPUZZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-13(11-12-14-7-3-2-4-8-14)21-16-10-6-5-9-15(16)17(18,19)20/h2-10,13,21H,11-12H2,1H3.
What are the key properties of N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline?
N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline has a molecular weight of 293.33 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 43098311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).