2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine

C14H21FN2O — CID 82938249

About 2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82938249) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

• Compound Name: 2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
• PubChem CID: 82938249
• Molecular Formula: C14H21FN2O
• Molecular Weight: 252.33 g/mol
• Exact Mass: 252.16
• IUPAC Name: 2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
• SMILES: CC(CN(C)C)NCC1Cc2cc(F)ccc2O1
• InChI: InChI=1S/C14H21FN2O/c1-10(9-17(2)3)16-8-13-7-11-6-12(15)4-5-14(11)18-13/h4-6,10,13,16H,7-9H2,1-3H3
• InChIKey: MMMREBLWZJJJOJ-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 24.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.33
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?

The IUPAC name of 2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 82938249) is 2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.

What is the SMILES notation for 2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?

The canonical SMILES for 2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)NCC1Cc2cc(F)ccc2O1.

What is the InChIKey of 2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?

The InChIKey is MMMREBLWZJJJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(9-17(2)3)16-8-13-7-11-6-12(15)4-5-14(11)18-13/h4-6,10,13,16H,7-9H2,1-3H3.

What are the key properties of 2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?

2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 252.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82938249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).