[4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine

C15H14F3NO2 — CID 61241607

IUPAC[4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine
SMILESCOc1cc(CN)c(-c2cc(F)c(F)c(F)c2)cc1OC
InChIInChI=1S/C15H14F3NO2/c1-20-13-5-9(7-19)10(6-14(13)21-2)8-3-11(16)15(18)12(17)4-8/h3-6H,7,19H2,1-2H3
InChIKeyOQDWXCBKRZVSIW-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.25
Rot. Bonds4

About [4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine

[4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine (PubChem CID 61241607) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is [4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine.

Molecular Properties

Compound Name[4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine
PubChem CID61241607
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name[4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine
SMILESCOc1cc(CN)c(-c2cc(F)c(F)c(F)c2)cc1OC
InChIInChI=1S/C15H14F3NO2/c1-20-13-5-9(7-19)10(6-14(13)21-2)8-3-11(16)15(18)12(17)4-8/h3-6H,7,19H2,1-2H3
InChIKeyOQDWXCBKRZVSIW-UHFFFAOYSA-N
XLogP3.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine?
The IUPAC name of [4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine (CID 61241607) is [4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine.
What is the SMILES notation for [4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine?
The canonical SMILES for [4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine is COc1cc(CN)c(-c2cc(F)c(F)c(F)c2)cc1OC.
What is the InChIKey of [4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine?
The InChIKey is OQDWXCBKRZVSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-20-13-5-9(7-19)10(6-14(13)21-2)8-3-11(16)15(18)12(17)4-8/h3-6H,7,19H2,1-2H3.
What are the key properties of [4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine?
[4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine has a molecular weight of 297.28 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine is sourced from PubChem (CID 61241607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).