N-benzyl-4-(1,3-dihydro-2-benzofuran-1-yl)aniline

C21H19NO — CID 70600546

IUPACN-benzyl-4-(1,3-dihydro-2-benzofuran-1-yl)aniline
SMILESc1ccc(CNc2ccc(C3OCc4ccccc43)cc2)cc1
InChIInChI=1S/C21H19NO/c1-2-6-16(7-3-1)14-22-19-12-10-17(11-13-19)21-20-9-5-4-8-18(20)15-23-21/h1-13,21-22H,14-15H2
InChIKeyHKQDGUKXGRIDEC-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.92
Rot. Bonds4

About N-benzyl-4-(1,3-dihydro-2-benzofuran-1-yl)aniline

N-benzyl-4-(1,3-dihydro-2-benzofuran-1-yl)aniline (PubChem CID 70600546) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is N-benzyl-4-(1,3-dihydro-2-benzofuran-1-yl)aniline.

Molecular Properties

Compound NameN-benzyl-4-(1,3-dihydro-2-benzofuran-1-yl)aniline
PubChem CID70600546
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC NameN-benzyl-4-(1,3-dihydro-2-benzofuran-1-yl)aniline
SMILESc1ccc(CNc2ccc(C3OCc4ccccc43)cc2)cc1
InChIInChI=1S/C21H19NO/c1-2-6-16(7-3-1)14-22-19-12-10-17(11-13-19)21-20-9-5-4-8-18(20)15-23-21/h1-13,21-22H,14-15H2
InChIKeyHKQDGUKXGRIDEC-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(1,3-dihydro-2-benzofuran-1-yl)aniline?
The IUPAC name of N-benzyl-4-(1,3-dihydro-2-benzofuran-1-yl)aniline (CID 70600546) is N-benzyl-4-(1,3-dihydro-2-benzofuran-1-yl)aniline.
What is the SMILES notation for N-benzyl-4-(1,3-dihydro-2-benzofuran-1-yl)aniline?
The canonical SMILES for N-benzyl-4-(1,3-dihydro-2-benzofuran-1-yl)aniline is c1ccc(CNc2ccc(C3OCc4ccccc43)cc2)cc1.
What is the InChIKey of N-benzyl-4-(1,3-dihydro-2-benzofuran-1-yl)aniline?
The InChIKey is HKQDGUKXGRIDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-2-6-16(7-3-1)14-22-19-12-10-17(11-13-19)21-20-9-5-4-8-18(20)15-23-21/h1-13,21-22H,14-15H2.
What are the key properties of N-benzyl-4-(1,3-dihydro-2-benzofuran-1-yl)aniline?
N-benzyl-4-(1,3-dihydro-2-benzofuran-1-yl)aniline has a molecular weight of 301.39 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(1,3-dihydro-2-benzofuran-1-yl)aniline is sourced from PubChem (CID 70600546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).