N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane

C13H20F3N — CID 144923276

IUPACN-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane
SMILESCCC.CCN(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N.C3H8/c1-3-14(2)9-6-4-5-8(7-9)10(11,12)13;1-3-2/h4-7H,3H2,1-2H3;3H2,1-2H3
InChIKeyFZARJMJAGLVNLX-UHFFFAOYSA-N
MW247.30 g/mol
LogP4.58
Rot. Bonds2

About N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane

N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane (PubChem CID 144923276) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane
PubChem CID144923276
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC NameN-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane
SMILESCCC.CCN(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N.C3H8/c1-3-14(2)9-6-4-5-8(7-9)10(11,12)13;1-3-2/h4-7H,3H2,1-2H3;3H2,1-2H3
InChIKeyFZARJMJAGLVNLX-UHFFFAOYSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[N-methyl-3-(trifluoromethyl)anilino]ethanol
CID 117029243
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 91610944
N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
CID 110454688
2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
CID 83561847
N-methyl-N-[3-(trifluoromethyl)phenyl]formamide
CID 162541615
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 142084157
2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide
CID 167921207
1-methyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 131849076
N,3-diethyl-N-methylaniline
CID 131018542
ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 66804011
(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]propanoic acid
CID 100520412
N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron
CID 175261981

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane?
The IUPAC name of N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane (CID 144923276) is N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane.
What is the SMILES notation for N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane?
The canonical SMILES for N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane is CCC.CCN(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane?
The InChIKey is FZARJMJAGLVNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N.C3H8/c1-3-14(2)9-6-4-5-8(7-9)10(11,12)13;1-3-2/h4-7H,3H2,1-2H3;3H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane?
N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane has a molecular weight of 247.30 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane is sourced from PubChem (CID 144923276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).