N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline

C13H18F3N — CID 146165674

IUPACN,N-di(propan-2-yl)-4-(trifluoromethyl)aniline
SMILESCC(C)N(c1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C13H18F3N/c1-9(2)17(10(3)4)12-7-5-11(6-8-12)13(14,15)16/h5-10H,1-4H3
InChIKeyVQNZVNBMTKEAJI-UHFFFAOYSA-N
MW245.29 g/mol
LogP4.33
Rot. Bonds3

About N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline

N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline (PubChem CID 146165674) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-4-(trifluoromethyl)aniline
PubChem CID146165674
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC NameN,N-di(propan-2-yl)-4-(trifluoromethyl)aniline
SMILESCC(C)N(c1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C13H18F3N/c1-9(2)17(10(3)4)12-7-5-11(6-8-12)13(14,15)16/h5-10H,1-4H3
InChIKeyVQNZVNBMTKEAJI-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline
CID 134254928
N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline
CID 146573346
3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline
CID 59307958
N,5-di(propan-2-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 71054004
1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 70880900
(2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 135213457
N-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline
CID 142923043
4-methoxy-N-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 162612064
2-methyl-3-[N-propyl-4-(trifluoromethyl)anilino]propanoic acid
CID 82317921
(1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 129373286
1-(2-methyltellanylpropyl)-4-(trifluoromethyl)benzene
CID 23075300

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline?
The IUPAC name of N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline (CID 146165674) is N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline?
The canonical SMILES for N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline is CC(C)N(c1ccc(C(F)(F)F)cc1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline?
The InChIKey is VQNZVNBMTKEAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-9(2)17(10(3)4)12-7-5-11(6-8-12)13(14,15)16/h5-10H,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline?
N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline has a molecular weight of 245.29 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 146165674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).