2-[(1R)-3,3-diphenyl-1H-2-benzofuran-1-yl]-N-methylethanamine

C23H23NO — CID 134844566

IUPAC2-[(1R)-3,3-diphenyl-1H-2-benzofuran-1-yl]-N-methylethanamine
SMILESCNCC[C@H]1OC(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H23NO/c1-24-17-16-22-20-14-8-9-15-21(20)23(25-22,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,22,24H,16-17H2,1H3/t22-/m1/s1
InChIKeyXWPXSMGSNYKBJO-JOCHJYFZSA-N
MW329.44 g/mol
LogP4.66
Rot. Bonds5

About 2-[(1R)-3,3-diphenyl-1H-2-benzofuran-1-yl]-N-methylethanamine

2-[(1R)-3,3-diphenyl-1H-2-benzofuran-1-yl]-N-methylethanamine (PubChem CID 134844566) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[(1R)-3,3-diphenyl-1H-2-benzofuran-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[(1R)-3,3-diphenyl-1H-2-benzofuran-1-yl]-N-methylethanamine
PubChem CID134844566
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name2-[(1R)-3,3-diphenyl-1H-2-benzofuran-1-yl]-N-methylethanamine
SMILESCNCC[C@H]1OC(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C23H23NO/c1-24-17-16-22-20-14-8-9-15-21(20)23(25-22,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,22,24H,16-17H2,1H3/t22-/m1/s1
InChIKeyXWPXSMGSNYKBJO-JOCHJYFZSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3,3-diphenyl-1H-2-benzofuran-1-yl]-N-methylethanamine?
The IUPAC name of 2-[(1R)-3,3-diphenyl-1H-2-benzofuran-1-yl]-N-methylethanamine (CID 134844566) is 2-[(1R)-3,3-diphenyl-1H-2-benzofuran-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[(1R)-3,3-diphenyl-1H-2-benzofuran-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[(1R)-3,3-diphenyl-1H-2-benzofuran-1-yl]-N-methylethanamine is CNCC[C@H]1OC(c2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[(1R)-3,3-diphenyl-1H-2-benzofuran-1-yl]-N-methylethanamine?
The InChIKey is XWPXSMGSNYKBJO-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23NO/c1-24-17-16-22-20-14-8-9-15-21(20)23(25-22,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,22,24H,16-17H2,1H3/t22-/m1/s1.
What are the key properties of 2-[(1R)-3,3-diphenyl-1H-2-benzofuran-1-yl]-N-methylethanamine?
2-[(1R)-3,3-diphenyl-1H-2-benzofuran-1-yl]-N-methylethanamine has a molecular weight of 329.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3,3-diphenyl-1H-2-benzofuran-1-yl]-N-methylethanamine is sourced from PubChem (CID 134844566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).