[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine

C10H12F3NO2 — CID 16776854

IUPAC[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
SMILESCOc1cc(CN)ccc1OCC(F)(F)F
InChIInChI=1S/C10H12F3NO2/c1-15-9-4-7(5-14)2-3-8(9)16-6-10(11,12)13/h2-4H,5-6,14H2,1H3
InChIKeyGOMQIGOCZXUMNF-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.10
Rot. Bonds4

About [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine

[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine (PubChem CID 16776854) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
PubChem CID16776854
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
SMILESCOc1cc(CN)ccc1OCC(F)(F)F
InChIInChI=1S/C10H12F3NO2/c1-15-9-4-7(5-14)2-3-8(9)16-6-10(11,12)13/h2-4H,5-6,14H2,1H3
InChIKeyGOMQIGOCZXUMNF-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene
CID 43141747
[4-methoxy-3-(2,2,3,3,3-pentafluoropropoxy)phenyl]methanamine
CID 164885130
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
[4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride
CID 164885128
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 47091604
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
CID 67509821
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
[4-(ethoxymethoxy)-3-methoxyphenyl]methanamine
CID 65364711
1-tert-butyl-2-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111048173
[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22683713

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The IUPAC name of [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine (CID 16776854) is [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine.
What is the SMILES notation for [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The canonical SMILES for [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine is COc1cc(CN)ccc1OCC(F)(F)F.
What is the InChIKey of [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The InChIKey is GOMQIGOCZXUMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-15-9-4-7(5-14)2-3-8(9)16-6-10(11,12)13/h2-4H,5-6,14H2,1H3.
What are the key properties of [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine?
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine has a molecular weight of 235.20 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine is sourced from PubChem (CID 16776854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).