N-ethyl-2-methyl-5-(trifluoromethyl)aniline

C10H12F3N — CID 66480929

IUPACN-ethyl-2-methyl-5-(trifluoromethyl)aniline
SMILESCCNc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C10H12F3N/c1-3-14-9-6-8(10(11,12)13)5-4-7(9)2/h4-6,14H,3H2,1-2H3
InChIKeyRWNVQWVPIQQEQL-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.45
Rot. Bonds2

About N-ethyl-2-methyl-5-(trifluoromethyl)aniline

N-ethyl-2-methyl-5-(trifluoromethyl)aniline (PubChem CID 66480929) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is N-ethyl-2-methyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-ethyl-2-methyl-5-(trifluoromethyl)aniline
PubChem CID66480929
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC NameN-ethyl-2-methyl-5-(trifluoromethyl)aniline
SMILESCCNc1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C10H12F3N/c1-3-14-9-6-8(10(11,12)13)5-4-7(9)2/h4-6,14H,3H2,1-2H3
InChIKeyRWNVQWVPIQQEQL-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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-prop-2-enyl-5-(trifluoromethyl)aniline
CID 66479743
N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide
CID 66479559
2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline
CID 66481146
2-methyl-N-oxido-5-(trifluoromethyl)aniline
CID 176656270
2-(ethylamino)-5-(trifluoromethyl)phenol
CID 82262951
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478762
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480538
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline
CID 106437871
(Z)-2-ethyl-4-[2-methyl-5-(trifluoromethyl)anilino]but-2-enoic acid
CID 103255420

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-5-(trifluoromethyl)aniline?
The IUPAC name of N-ethyl-2-methyl-5-(trifluoromethyl)aniline (CID 66480929) is N-ethyl-2-methyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-ethyl-2-methyl-5-(trifluoromethyl)aniline?
The canonical SMILES for N-ethyl-2-methyl-5-(trifluoromethyl)aniline is CCNc1cc(C(F)(F)F)ccc1C.
What is the InChIKey of N-ethyl-2-methyl-5-(trifluoromethyl)aniline?
The InChIKey is RWNVQWVPIQQEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-3-14-9-6-8(10(11,12)13)5-4-7(9)2/h4-6,14H,3H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-5-(trifluoromethyl)aniline?
N-ethyl-2-methyl-5-(trifluoromethyl)aniline has a molecular weight of 203.21 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66480929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).