4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide

C17H18N2O2 — CID 56702059

IUPAC4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cccc3c2OC(CN)C3)cc1
InChIInChI=1S/C17H18N2O2/c1-19-17(20)12-7-5-11(6-8-12)15-4-2-3-13-9-14(10-18)21-16(13)15/h2-8,14H,9-10,18H2,1H3,(H,19,20)
InChIKeyJHPWFFDHAIBPLM-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.98
Rot. Bonds3

About 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide

4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide (PubChem CID 56702059) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide
PubChem CID56702059
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cccc3c2OC(CN)C3)cc1
InChIInChI=1S/C17H18N2O2/c1-19-17(20)12-7-5-11(6-8-12)15-4-2-3-13-9-14(10-18)21-16(13)15/h2-8,14H,9-10,18H2,1H3,(H,19,20)
InChIKeyJHPWFFDHAIBPLM-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.98
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-7-yl]-N-methylbenzamide?
The IUPAC name of 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide (CID 56702059) is 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide?
The canonical SMILES for 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cccc3c2OC(CN)C3)cc1.
What is the InChIKey of 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide?
The InChIKey is JHPWFFDHAIBPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19-17(20)12-7-5-11(6-8-12)15-4-2-3-13-9-14(10-18)21-16(13)15/h2-8,14H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide?
4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide has a molecular weight of 282.34 g/mol, XLogP of 1.98, 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-7-yl]-N-methylbenzamide is sourced from PubChem (CID 56702059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).