1,3-dihydro-2-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanamine

C16H14F3NO — CID 63019523

IUPAC1,3-dihydro-2-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc2c(c1)COC2)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F3NO/c17-16(18,19)14-4-2-1-3-13(14)15(20)10-5-6-11-8-21-9-12(11)7-10/h1-7,15H,8-9,20H2
InChIKeyYTBWGYQVWBGZPT-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.78
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanamine

1,3-dihydro-2-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 63019523) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID63019523
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc2c(c1)COC2)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H14F3NO/c17-16(18,19)14-4-2-1-3-13(14)15(20)10-5-6-11-8-21-9-12(11)7-10/h1-7,15H,8-9,20H2
InChIKeyYTBWGYQVWBGZPT-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanamine (CID 63019523) is 1,3-dihydro-2-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanamine is NC(c1ccc2c(c1)COC2)c1ccccc1C(F)(F)F.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is YTBWGYQVWBGZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-16(18,19)14-4-2-1-3-13(14)15(20)10-5-6-11-8-21-9-12(11)7-10/h1-7,15H,8-9,20H2.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanamine?
1,3-dihydro-2-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 293.29 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 63019523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).