N-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline

C13H18F3N — CID 64597564

IUPACN-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline
SMILESCC(C)C(C)CNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3N/c1-9(2)10(3)8-17-12-6-4-11(5-7-12)13(14,15)16/h4-7,9-10,17H,8H2,1-3H3
InChIKeyBQQCBDWPQRANPI-UHFFFAOYSA-N
MW245.29 g/mol
LogP4.41
Rot. Bonds4

About N-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline

N-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline (PubChem CID 64597564) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline
PubChem CID64597564
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC NameN-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline
SMILESCC(C)C(C)CNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3N/c1-9(2)10(3)8-17-12-6-4-11(5-7-12)13(14,15)16/h4-7,9-10,17H,8H2,1-3H3
InChIKeyBQQCBDWPQRANPI-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,3-dimethylbutylamino)benzoic acid
CID 64599150
N-(4-chloropentyl)-4-(trifluoromethyl)aniline
CID 106124677
4-(trifluoromethyl)-N-(2,5,5-trimethylhexan-3-yl)aniline
CID 59205123
2-[[4-(trifluoromethyl)anilino]methyl]pentanoic acid
CID 65224223
4-tert-butyl-N-(2,2-difluoroethyl)aniline
CID 60922267
N-(1-chloro-3-methylbutan-2-yl)-4-(trifluoromethyl)aniline
CID 23160674
N-(2,3-dimethylbutyl)-4-ethylsulfonylaniline
CID 64596945
N-(2,3-dimethylbutyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 64596986
1-[4-(trifluoromethyl)anilino]pentan-3-one
CID 154015684
4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine
CID 106750890
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline?
The IUPAC name of N-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline (CID 64597564) is N-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for N-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline is CC(C)C(C)CNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline?
The InChIKey is BQQCBDWPQRANPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-9(2)10(3)8-17-12-6-4-11(5-7-12)13(14,15)16/h4-7,9-10,17H,8H2,1-3H3.
What are the key properties of N-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline?
N-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline has a molecular weight of 245.29 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 64597564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).