N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline

C12H16F3N — CID 118333519

IUPACN-tert-butyl-3-methyl-5-(trifluoromethyl)aniline
SMILESCc1cc(NC(C)(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N/c1-8-5-9(12(13,14)15)7-10(6-8)16-11(2,3)4/h5-7,16H,1-4H3
InChIKeyMEASBWAGBYBUJA-UHFFFAOYSA-N
MW231.26 g/mol
LogP4.22
Rot. Bonds1

About N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline

N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline (PubChem CID 118333519) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-5-(trifluoromethyl)aniline
PubChem CID118333519
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-tert-butyl-3-methyl-5-(trifluoromethyl)aniline
SMILESCc1cc(NC(C)(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N/c1-8-5-9(12(13,14)15)7-10(6-8)16-11(2,3)4/h5-7,16H,1-4H3
InChIKeyMEASBWAGBYBUJA-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-methyl-5-(trifluoromethyl)phenyl]formamide
CID 58761830
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
N-tert-butyl-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
CID 166898562
3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline
CID 131522513
(1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine
CID 58900711
1-[difluoro(iodo)methyl]-3-methyl-5-(trifluoromethyl)benzene
CID 131977806
1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene
CID 145201590
N-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline
CID 143881938
3-N-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 129132072
3-bromo-N-(2-ethoxyethyl)-5-(trifluoromethyl)aniline
CID 65490231
methane;1-methyl-3,5-bis(trifluoromethyl)benzene;1,2,3,4,5-pentafluorobenzene
CID 158369663
bis(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]sulfanium
CID 163603392

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline?
The IUPAC name of N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline (CID 118333519) is N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline?
The canonical SMILES for N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline is Cc1cc(NC(C)(C)C)cc(C(F)(F)F)c1.
What is the InChIKey of N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline?
The InChIKey is MEASBWAGBYBUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-8-5-9(12(13,14)15)7-10(6-8)16-11(2,3)4/h5-7,16H,1-4H3.
What are the key properties of N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline?
N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline has a molecular weight of 231.26 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 118333519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).