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

C11H14F3NO — CID 82262859

IUPAC2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
SMILESCCNc1cc(C(F)(F)F)ccc1OCC
InChIInChI=1S/C11H14F3NO/c1-3-15-9-7-8(11(12,13)14)5-6-10(9)16-4-2/h5-7,15H,3-4H2,1-2H3
InChIKeyNDPYJAKWQALLJR-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.54
Rot. Bonds4

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

2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline (PubChem CID 82262859) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
PubChem CID82262859
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
SMILESCCNc1cc(C(F)(F)F)ccc1OCC
InChIInChI=1S/C11H14F3NO/c1-3-15-9-7-8(11(12,13)14)5-6-10(9)16-4-2/h5-7,15H,3-4H2,1-2H3
InChIKeyNDPYJAKWQALLJR-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide
CID 47077756
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
2-[2-ethoxy-5-(trifluoromethyl)anilino]-N,N-bis(prop-2-enyl)acetamide
CID 60587911
5-tert-butyl-2-ethoxy-N-methylaniline
CID 82264357
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 170999647
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111474249
2-(ethylamino)-5-(trifluoromethyl)phenol
CID 82262951
2-ethoxy-1-iodo-4-(trifluoromethyl)benzene
CID 164892007
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[2-ethoxy-5-(trifluoromethyl)anilino]-N-methylacetamide
CID 60587790

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline?
The IUPAC name of 2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline (CID 82262859) is 2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline is CCNc1cc(C(F)(F)F)ccc1OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline?
The InChIKey is NDPYJAKWQALLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-3-15-9-7-8(11(12,13)14)5-6-10(9)16-4-2/h5-7,15H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline?
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline has a molecular weight of 233.23 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 82262859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).