1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine

C11H14F3NO2 — CID 84706946

IUPAC1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1cc(C(C)N)cc(C(F)(F)F)c1OC
InChIInChI=1S/C11H14F3NO2/c1-6(15)7-4-8(11(12,13)14)10(17-3)9(5-7)16-2/h4-6H,15H2,1-3H3
InChIKeyBWWYBODSXMZFFP-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.74
Rot. Bonds3

About 1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine

1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine (PubChem CID 84706946) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine
PubChem CID84706946
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1cc(C(C)N)cc(C(F)(F)F)c1OC
InChIInChI=1S/C11H14F3NO2/c1-6(15)7-4-8(11(12,13)14)10(17-3)9(5-7)16-2/h4-6H,15H2,1-3H3
InChIKeyBWWYBODSXMZFFP-UHFFFAOYSA-N
XLogP2.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 131503753
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117449576
(1S)-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 66512237
1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine
CID 175788959
5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde
CID 117298695
1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84706950
1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 84707984
1-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethanamine
CID 82542007
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
2-[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117496682
2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol
CID 84705649
4-methoxy-3,5-bis(trifluoromethyl)aniline
CID 134640581

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine (CID 84706946) is 1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine is COc1cc(C(C)N)cc(C(F)(F)F)c1OC.
What is the InChIKey of 1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is BWWYBODSXMZFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-6(15)7-4-8(11(12,13)14)10(17-3)9(5-7)16-2/h4-6H,15H2,1-3H3.
What are the key properties of 1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine?
1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 249.23 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 84706946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).