[3-ethyl-2-(trifluoromethoxy)phenyl]methanamine

C10H12F3NO — CID 170998610

IUPAC[3-ethyl-2-(trifluoromethoxy)phenyl]methanamine
SMILESCCc1cccc(CN)c1OC(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-2-7-4-3-5-8(6-14)9(7)15-10(11,12)13/h3-5H,2,6,14H2,1H3
InChIKeyHEVZZDHEPTUPBE-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.61
Rot. Bonds3

About [3-ethyl-2-(trifluoromethoxy)phenyl]methanamine

[3-ethyl-2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 170998610) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is [3-ethyl-2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-ethyl-2-(trifluoromethoxy)phenyl]methanamine
PubChem CID170998610
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name[3-ethyl-2-(trifluoromethoxy)phenyl]methanamine
SMILESCCc1cccc(CN)c1OC(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-2-7-4-3-5-8(6-14)9(7)15-10(11,12)13/h3-5H,2,6,14H2,1H3
InChIKeyHEVZZDHEPTUPBE-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of [3-ethyl-2-(trifluoromethoxy)phenyl]methanamine (CID 170998610) is [3-ethyl-2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for [3-ethyl-2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for [3-ethyl-2-(trifluoromethoxy)phenyl]methanamine is CCc1cccc(CN)c1OC(F)(F)F.
What is the InChIKey of [3-ethyl-2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is HEVZZDHEPTUPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-2-7-4-3-5-8(6-14)9(7)15-10(11,12)13/h3-5H,2,6,14H2,1H3.
What are the key properties of [3-ethyl-2-(trifluoromethoxy)phenyl]methanamine?
[3-ethyl-2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 219.21 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 170998610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).