N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline

C12H16F3N — CID 146573346

IUPACN-tert-butyl-N-methyl-4-(trifluoromethyl)aniline
SMILESCN(c1ccc(C(F)(F)F)cc1)C(C)(C)C
InChIInChI=1S/C12H16F3N/c1-11(2,3)16(4)10-7-5-9(6-8-10)12(13,14)15/h5-8H,1-4H3
InChIKeyGKFBOTCDDXVCQF-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.94
Rot. Bonds1

About N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline

N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline (PubChem CID 146573346) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-4-(trifluoromethyl)aniline
PubChem CID146573346
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-tert-butyl-N-methyl-4-(trifluoromethyl)aniline
SMILESCN(c1ccc(C(F)(F)F)cc1)C(C)(C)C
InChIInChI=1S/C12H16F3N/c1-11(2,3)16(4)10-7-5-9(6-8-10)12(13,14)15/h5-8H,1-4H3
InChIKeyGKFBOTCDDXVCQF-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
methyl-[4-(trifluoromethyl)phenyl]carbamic acid
CID 54260410
N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline
CID 146165674
4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline
CID 162147514
N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline
CID 134254928
N,N-dimethylmethanamine;[4-(trifluoromethyl)phenyl]tin(3+)
CID 171930052
3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine
CID 117028883
2-[N-methyl-4-(trifluoromethyl)anilino]-2-oxoacetic acid
CID 83630391
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 142084157
1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol
CID 167467620
2-amino-N-methyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 83538987

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline?
The IUPAC name of N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline (CID 146573346) is N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline?
The canonical SMILES for N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline is CN(c1ccc(C(F)(F)F)cc1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline?
The InChIKey is GKFBOTCDDXVCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-11(2,3)16(4)10-7-5-9(6-8-10)12(13,14)15/h5-8H,1-4H3.
What are the key properties of N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline?
N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline has a molecular weight of 231.26 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 146573346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).