[2-(3,5-dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methanamine

C16H16F3NO2 — CID 58873795

IUPAC[2-(3,5-dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cc(OC)cc(-c2cc(C(F)(F)F)ccc2CN)c1
InChIInChI=1S/C16H16F3NO2/c1-21-13-5-11(6-14(8-13)22-2)15-7-12(16(17,18)19)4-3-10(15)9-20/h3-8H,9,20H2,1-2H3
InChIKeyLZAXELRDAHLEIX-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.85
Rot. Bonds4

About [2-(3,5-dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methanamine

[2-(3,5-dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 58873795) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is [2-(3,5-dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methanamine
PubChem CID58873795
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name[2-(3,5-dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cc(OC)cc(-c2cc(C(F)(F)F)ccc2CN)c1
InChIInChI=1S/C16H16F3NO2/c1-21-13-5-11(6-14(8-13)22-2)15-7-12(16(17,18)19)4-3-10(15)9-20/h3-8H,9,20H2,1-2H3
InChIKeyLZAXELRDAHLEIX-UHFFFAOYSA-N
XLogP3.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-(3,5-dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methanamine (CID 58873795) is [2-(3,5-dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-(3,5-dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-(3,5-dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methanamine is COc1cc(OC)cc(-c2cc(C(F)(F)F)ccc2CN)c1.
What is the InChIKey of [2-(3,5-dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is LZAXELRDAHLEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-21-13-5-11(6-14(8-13)22-2)15-7-12(16(17,18)19)4-3-10(15)9-20/h3-8H,9,20H2,1-2H3.
What are the key properties of [2-(3,5-dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methanamine?
[2-(3,5-dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 311.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 58873795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).