4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide

C16H16N2O2 — CID 118759725

IUPAC4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide
SMILESNCC1Cc2cc(-c3ccc(C(N)=O)cc3)ccc2O1
InChIInChI=1S/C16H16N2O2/c17-9-14-8-13-7-12(5-6-15(13)20-14)10-1-3-11(4-2-10)16(18)19/h1-7,14H,8-9,17H2,(H2,18,19)
InChIKeyHHTKFPZQNUZYAU-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.71
Rot. Bonds3

About 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide

4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide (PubChem CID 118759725) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide
PubChem CID118759725
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide
SMILESNCC1Cc2cc(-c3ccc(C(N)=O)cc3)ccc2O1
InChIInChI=1S/C16H16N2O2/c17-9-14-8-13-7-12(5-6-15(13)20-14)10-1-3-11(4-2-10)16(18)19/h1-7,14H,8-9,17H2,(H2,18,19)
InChIKeyHHTKFPZQNUZYAU-UHFFFAOYSA-N
XLogP1.71
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide?
The IUPAC name of 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide (CID 118759725) is 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide.
What is the SMILES notation for 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide?
The canonical SMILES for 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide is NCC1Cc2cc(-c3ccc(C(N)=O)cc3)ccc2O1.
What is the InChIKey of 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide?
The InChIKey is HHTKFPZQNUZYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-9-14-8-13-7-12(5-6-15(13)20-14)10-1-3-11(4-2-10)16(18)19/h1-7,14H,8-9,17H2,(H2,18,19).
What are the key properties of 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide?
4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide has a molecular weight of 268.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-5-yl]benzamide is sourced from PubChem (CID 118759725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).