[5-(methoxymethyl)-2-(trifluoromethyl)phenyl]methanamine

C10H12F3NO — CID 90156055

IUPAC[5-(methoxymethyl)-2-(trifluoromethyl)phenyl]methanamine
SMILESCOCc1ccc(C(F)(F)F)c(CN)c1
InChIInChI=1S/C10H12F3NO/c1-15-6-7-2-3-9(10(11,12)13)8(4-7)5-14/h2-4H,5-6,14H2,1H3
InChIKeySTAAWSNJOKFBGP-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.31
Rot. Bonds3

About [5-(methoxymethyl)-2-(trifluoromethyl)phenyl]methanamine

[5-(methoxymethyl)-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 90156055) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is [5-(methoxymethyl)-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-(methoxymethyl)-2-(trifluoromethyl)phenyl]methanamine
PubChem CID90156055
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name[5-(methoxymethyl)-2-(trifluoromethyl)phenyl]methanamine
SMILESCOCc1ccc(C(F)(F)F)c(CN)c1
InChIInChI=1S/C10H12F3NO/c1-15-6-7-2-3-9(10(11,12)13)8(4-7)5-14/h2-4H,5-6,14H2,1H3
InChIKeySTAAWSNJOKFBGP-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [5-(methoxymethyl)-2-(trifluoromethyl)phenyl]methanamine (CID 90156055) is [5-(methoxymethyl)-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [5-(methoxymethyl)-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [5-(methoxymethyl)-2-(trifluoromethyl)phenyl]methanamine is COCc1ccc(C(F)(F)F)c(CN)c1.
What is the InChIKey of [5-(methoxymethyl)-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is STAAWSNJOKFBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-15-6-7-2-3-9(10(11,12)13)8(4-7)5-14/h2-4H,5-6,14H2,1H3.
What are the key properties of [5-(methoxymethyl)-2-(trifluoromethyl)phenyl]methanamine?
[5-(methoxymethyl)-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 219.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 90156055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).