[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine

C11H14F3NO2 — CID 64552071

IUPAC[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
SMILESCOc1cccc(CN)c1OCCC(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-16-9-4-2-3-8(7-15)10(9)17-6-5-11(12,13)14/h2-4H,5-7,15H2,1H3
InChIKeyIUVCBQICWSCGIW-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.49
Rot. Bonds5

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

[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine (PubChem CID 64552071) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
PubChem CID64552071
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
SMILESCOc1cccc(CN)c1OCCC(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-16-9-4-2-3-8(7-15)10(9)17-6-5-11(12,13)14/h2-4H,5-7,15H2,1H3
InChIKeyIUVCBQICWSCGIW-UHFFFAOYSA-N
XLogP2.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol
CID 64567950
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
1-[3-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]propan-2-amine
CID 115517719
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
3-[2-(aminomethyl)-6-methoxyphenoxy]-N-methylpropanamide
CID 55061826
[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine
CID 54793715
1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
CID 60888797
[3-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 54962092
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
[3-chloro-2-(4,4,4-trifluorobutoxy)phenyl]methanamine
CID 112607694
2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 43471479

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine?
The IUPAC name of [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine (CID 64552071) is [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine.
What is the SMILES notation for [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine?
The canonical SMILES for [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine is COc1cccc(CN)c1OCCC(F)(F)F.
What is the InChIKey of [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine?
The InChIKey is IUVCBQICWSCGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-16-9-4-2-3-8(7-15)10(9)17-6-5-11(12,13)14/h2-4H,5-7,15H2,1H3.
What are the key properties of [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine?
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine has a molecular weight of 249.23 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine is sourced from PubChem (CID 64552071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).