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

C10H12F3NO — CID 82706107

IUPACN-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCONC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-7(14-15-2)8-5-3-4-6-9(8)10(11,12)13/h3-7,14H,1-2H3
InChIKeyQZXOEJRKQYNRSF-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.92
Rot. Bonds3

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

N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 82706107) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID82706107
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCONC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-7(14-15-2)8-5-3-4-6-9(8)10(11,12)13/h3-7,14H,1-2H3
InChIKeyQZXOEJRKQYNRSF-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 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 ≤ 52.92
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

methyl (2S)-3-methyl-2-[1-[2-(trifluoromethyl)phenyl]ethylamino]butanoate
CID 43452194
(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 59906761
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62802487
1-(2-bromophenyl)-N-methoxyethanamine
CID 78971724
2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43105751
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
1-(1-bromoethyl)-2-(trifluoromethyl)benzene
CID 2775621
6-methoxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyridin-3-amine
CID 43093893
N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75427916
2-methylsulfanyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43683371
N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43111630
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 82706107) is N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine is CONC(C)c1ccccc1C(F)(F)F.
What is the InChIKey of N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is QZXOEJRKQYNRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-7(14-15-2)8-5-3-4-6-9(8)10(11,12)13/h3-7,14H,1-2H3.
What are the key properties of N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine?
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.92, 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]ethanamine is sourced from PubChem (CID 82706107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).