2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline

C14H20F3N — CID 66478753

IUPAC2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline
SMILESCCC(C)C(C)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C14H20F3N/c1-5-9(2)11(4)18-13-8-12(14(15,16)17)7-6-10(13)3/h6-9,11,18H,5H2,1-4H3
InChIKeyWBMMUZWHSMJZED-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.86
Rot. Bonds4

About 2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline

2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline (PubChem CID 66478753) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline
PubChem CID66478753
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline
SMILESCCC(C)C(C)Nc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C14H20F3N/c1-5-9(2)11(4)18-13-8-12(14(15,16)17)7-6-10(13)3/h6-9,11,18H,5H2,1-4H3
InChIKeyWBMMUZWHSMJZED-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-pentan-2-yl-5-(trifluoromethyl)aniline
CID 66481332
2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline
CID 66478749
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
2-methyl-N-octan-2-yl-5-(trifluoromethyl)aniline
CID 66480732
(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 66475643
N-but-3-en-2-yl-2-methyl-5-(trifluoromethyl)aniline
CID 107907236
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline
CID 116534878
3-[2-methyl-5-(trifluoromethyl)anilino]butanoic acid
CID 66480950
4-chloro-N-(3-methylpentan-2-yl)-2-(trifluoromethyl)aniline
CID 43105999
N-butan-2-yl-2-[2-methyl-5-(trifluoromethyl)anilino]acetamide
CID 66476966

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline (CID 66478753) is 2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline is CCC(C)C(C)Nc1cc(C(F)(F)F)ccc1C.
What is the InChIKey of 2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline?
The InChIKey is WBMMUZWHSMJZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-5-9(2)11(4)18-13-8-12(14(15,16)17)7-6-10(13)3/h6-9,11,18H,5H2,1-4H3.
What are the key properties of 2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline?
2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline has a molecular weight of 259.31 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66478753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).