2-[N-methyl-3-(trifluoromethyl)anilino]ethanol

C10H12F3NO — CID 117029243

IUPAC2-[N-methyl-3-(trifluoromethyl)anilino]ethanol
SMILESCN(CCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-14(5-6-15)9-4-2-3-8(7-9)10(11,12)13/h2-4,7,15H,5-6H2,1H3
InChIKeyPIWSRRQJMFUTCN-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.13
Rot. Bonds3

About 2-[N-methyl-3-(trifluoromethyl)anilino]ethanol

2-[N-methyl-3-(trifluoromethyl)anilino]ethanol (PubChem CID 117029243) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-[N-methyl-3-(trifluoromethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-methyl-3-(trifluoromethyl)anilino]ethanol
PubChem CID117029243
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-[N-methyl-3-(trifluoromethyl)anilino]ethanol
SMILESCN(CCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-14(5-6-15)9-4-2-3-8(7-9)10(11,12)13/h2-4,7,15H,5-6H2,1H3
InChIKeyPIWSRRQJMFUTCN-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane
CID 144923276
N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
CID 110454688
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 91610944
1-butylsulfonyl-3-(trifluoromethyl)benzene;2-(N,3-dimethylanilino)ethanol;ethane;methoxymethane;sulfur monoxide
CID 143241820
1-methyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 131849076
N-methyl-N-[3-(trifluoromethyl)phenyl]formamide
CID 162541615
ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 3054397
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
CID 83561847
1-hydroxy-3-methyl-1-[3-(trifluoromethyl)phenyl]urea;methane
CID 158213715
N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide
CID 139644460
N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide
CID 60655793

Frequently Asked Questions

What is the IUPAC name of 2-[N-methyl-3-(trifluoromethyl)anilino]ethanol?
The IUPAC name of 2-[N-methyl-3-(trifluoromethyl)anilino]ethanol (CID 117029243) is 2-[N-methyl-3-(trifluoromethyl)anilino]ethanol.
What is the SMILES notation for 2-[N-methyl-3-(trifluoromethyl)anilino]ethanol?
The canonical SMILES for 2-[N-methyl-3-(trifluoromethyl)anilino]ethanol is CN(CCO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[N-methyl-3-(trifluoromethyl)anilino]ethanol?
The InChIKey is PIWSRRQJMFUTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-14(5-6-15)9-4-2-3-8(7-9)10(11,12)13/h2-4,7,15H,5-6H2,1H3.
What are the key properties of 2-[N-methyl-3-(trifluoromethyl)anilino]ethanol?
2-[N-methyl-3-(trifluoromethyl)anilino]ethanol has a molecular weight of 219.21 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methyl-3-(trifluoromethyl)anilino]ethanol is sourced from PubChem (CID 117029243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).