N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine

C10H12F3NO — CID 115279415

IUPACN-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCCONCc1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-2-15-14-7-8-5-3-4-6-9(8)10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyWNBGCTQBAWSUJV-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.75
Rot. Bonds4

About N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine

N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 115279415) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID115279415
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCCONCc1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-2-15-14-7-8-5-3-4-6-9(8)10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyWNBGCTQBAWSUJV-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethoxy)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 82714629
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
1-[(2-methoxyphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 57251880
1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117319008
N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide
CID 75531292
2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 103933703
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 115974989
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
2-ethylsulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 104668531
2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 150499557
methyl 2-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]propanoate
CID 62881824

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine (CID 115279415) is N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine is CCONCc1ccccc1C(F)(F)F.
What is the InChIKey of N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is WNBGCTQBAWSUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-2-15-14-7-8-5-3-4-6-9(8)10(11,12)13/h3-6,14H,2,7H2,1H3.
What are the key properties of N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine?
N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 219.21 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115279415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).