[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine

C10H12F3NO — CID 16794179

IUPAC[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
SMILESNCc1cccc(COCC(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)7-15-6-9-3-1-2-8(4-9)5-14/h1-4H,5-7,14H2
InChIKeyUTFSGAOQFVAVTC-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.22
Rot. Bonds4

About [3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine

[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine (PubChem CID 16794179) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is [3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
PubChem CID16794179
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
SMILESNCc1cccc(COCC(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)7-15-6-9-3-1-2-8(4-9)5-14/h1-4H,5-7,14H2
InChIKeyUTFSGAOQFVAVTC-UHFFFAOYSA-N
XLogP2.22
TPSA35.25 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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamine
CID 19968650
(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamine
CID 22859115
(3-(Methoxymethyl)phenyl)methanamine
CID 16787292
[3-(Aminomethyl)phenyl]methanol
CID 21880609
1-[2-(Methoxymethyl)phenyl]methanamine
CID 12628891
(4-((2,2,2-Trifluoroethoxy)methyl)phenyl)methanamine
CID 16227394
{3-[(Tert-butoxy)methyl]phenyl}methanamine
CID 28996105
2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-propylamine(Diastereomer A)
CID 10339539
2-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-1-phenyl-ethylamine
CID 44326362
SK&F 41407
CID 198225
Benzeneethanamine, beta-methoxy-3-(trifluoromethyl)-, hydrochloride
CID 203805
(4-(Ethoxymethyl)phenyl)methanamine
CID 16784161

Frequently Asked Questions

What is the IUPAC name of [3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
The IUPAC name of [3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine (CID 16794179) is [3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine.
What is the SMILES notation for [3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
The canonical SMILES for [3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine is NCc1cccc(COCC(F)(F)F)c1.
What is the InChIKey of [3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
The InChIKey is UTFSGAOQFVAVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)7-15-6-9-3-1-2-8(4-9)5-14/h1-4H,5-7,14H2.
What are the key properties of [3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine?
[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine has a molecular weight of 219.21 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine is sourced from PubChem (CID 16794179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).