[2-methoxy-4-(trifluoromethyl)phenyl]methanamine

C9H10F3NO — CID 46737532

IUPAC[2-methoxy-4-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cc(C(F)(F)F)ccc1CN
InChIInChI=1S/C9H10F3NO/c1-14-8-4-7(9(10,11)12)3-2-6(8)5-13/h2-4H,5,13H2,1H3
InChIKeyFEOVMOIWRLRBFP-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.17
Rot. Bonds2

About [2-methoxy-4-(trifluoromethyl)phenyl]methanamine

[2-methoxy-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 46737532) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is [2-methoxy-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-4-(trifluoromethyl)phenyl]methanamine
PubChem CID46737532
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name[2-methoxy-4-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cc(C(F)(F)F)ccc1CN
InChIInChI=1S/C9H10F3NO/c1-14-8-4-7(9(10,11)12)3-2-6(8)5-13/h2-4H,5,13H2,1H3
InChIKeyFEOVMOIWRLRBFP-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-methoxy-4-(trifluoromethyl)phenyl]methanamine (CID 46737532) is [2-methoxy-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-methoxy-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-methoxy-4-(trifluoromethyl)phenyl]methanamine is COc1cc(C(F)(F)F)ccc1CN.
What is the InChIKey of [2-methoxy-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is FEOVMOIWRLRBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-14-8-4-7(9(10,11)12)3-2-6(8)5-13/h2-4H,5,13H2,1H3.
What are the key properties of [2-methoxy-4-(trifluoromethyl)phenyl]methanamine?
[2-methoxy-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 205.18 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 46737532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).