N-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine

C10H10F3NO — CID 57278289

IUPACN-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine
SMILESC=C(NOC)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-7(14-15-2)8-5-3-4-6-9(8)10(11,12)13/h3-6,14H,1H2,2H3
InChIKeyHSIQBHOKTATMOU-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.83
Rot. Bonds3

About N-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine

N-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine (PubChem CID 57278289) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is N-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine.

Molecular Properties

Compound NameN-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine
PubChem CID57278289
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC NameN-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine
SMILESC=C(NOC)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-7(14-15-2)8-5-3-4-6-9(8)10(11,12)13/h3-6,14H,1H2,2H3
InChIKeyHSIQBHOKTATMOU-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

n-(4-Fluoro-2-trifluoromethyl-benzyl)-o-methyl-hydroxylamine
CID 23499553
o-Methyl-n-(4-trifluoromethyl-benzyl)-hydroxylamine
CID 23499567
N-(1,1,1-trifluoro-2-phenylpent-4-en-2-yl)hydroxylamine
CID 14764219
(Z)-3-amino-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 13034549
N-(difluoromethoxy)-1-phenylmethanamine
CID 17887999
N-methoxy-3-(trifluoromethyl)aniline
CID 18667752
actinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide
CID 21343674
N-methoxy-4-(trifluoromethyl)aniline
CID 23340609
N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine
CID 23394254
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 56974312
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 56978932
2-(4-fluorophenyl)-N-methoxy-1-phenylethenamine
CID 56985679

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine?
The IUPAC name of N-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine (CID 57278289) is N-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine.
What is the SMILES notation for N-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine?
The canonical SMILES for N-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine is C=C(NOC)c1ccccc1C(F)(F)F.
What is the InChIKey of N-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine?
The InChIKey is HSIQBHOKTATMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-7(14-15-2)8-5-3-4-6-9(8)10(11,12)13/h3-6,14H,1H2,2H3.
What are the key properties of N-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine?
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine has a molecular weight of 217.19 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine is sourced from PubChem (CID 57278289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).