1-methoxy-2-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine

C11H14F3NO2 — CID 71236310

IUPAC1-methoxy-2-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1cc(CC(N)OC)ccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-16-9-5-7(6-10(15)17-2)3-4-8(9)11(12,13)14/h3-5,10H,6,15H2,1-2H3
InChIKeyHERHYMXCUHBFCN-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.19
Rot. Bonds4

About 1-methoxy-2-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine

1-methoxy-2-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 71236310) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-methoxy-2-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-methoxy-2-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine
PubChem CID71236310
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name1-methoxy-2-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1cc(CC(N)OC)ccc1C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-16-9-5-7(6-10(15)17-2)3-4-8(9)11(12,13)14/h3-5,10H,6,15H2,1-2H3
InChIKeyHERHYMXCUHBFCN-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-(2-methylbutyl)-1-(trifluoromethyl)benzene
CID 177016098
1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 155970638
3-[3-methoxy-4-(trifluoromethyl)phenyl]propanal
CID 134621964
4-hexyl-2-methoxy-1-(trifluoromethyl)benzene
CID 90733301
methyl (2S)-2-amino-3-[4-methoxy-3-(trifluoromethyl)phenyl]propanoate
CID 95931969
1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339948
4-tert-butyl-2-methoxy-1-(trifluoromethyl)benzene
CID 70832667
1-[4-(methoxymethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
CID 65364910
2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806173
(4-tert-butyl-3-methoxyphenyl)methanamine
CID 82669944
methyl (2R)-2-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]propanoate
CID 171238216
2-methoxy-4-[(3S)-3-methyl-5-[3-methyl-4-(trifluoromethyl)phenyl]pentyl]phenol
CID 147848254

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-methoxy-2-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine (CID 71236310) is 1-methoxy-2-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-methoxy-2-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-methoxy-2-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine is COc1cc(CC(N)OC)ccc1C(F)(F)F.
What is the InChIKey of 1-methoxy-2-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is HERHYMXCUHBFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-16-9-5-7(6-10(15)17-2)3-4-8(9)11(12,13)14/h3-5,10H,6,15H2,1-2H3.
What are the key properties of 1-methoxy-2-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine?
1-methoxy-2-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 249.23 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[3-methoxy-4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 71236310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).