1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine

C17H18FNO — CID 69305108

IUPAC1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCC1Cc2cccc(Cc3ccccc3F)c2O1
InChIInChI=1S/C17H18FNO/c1-19-11-15-10-14-7-4-6-13(17(14)20-15)9-12-5-2-3-8-16(12)18/h2-8,15,19H,9-11H2,1H3
InChIKeyHFWCDXFSFDOYMJ-UHFFFAOYSA-N
MW271.33 g/mol
LogP2.94
Rot. Bonds4

About 1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine

1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (PubChem CID 69305108) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
PubChem CID69305108
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNCC1Cc2cccc(Cc3ccccc3F)c2O1
InChIInChI=1S/C17H18FNO/c1-19-11-15-10-14-7-4-6-13(17(14)20-15)9-12-5-2-3-8-16(12)18/h2-8,15,19H,9-11H2,1H3
InChIKeyHFWCDXFSFDOYMJ-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (CID 69305108) is 1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is CNCC1Cc2cccc(Cc3ccccc3F)c2O1.
What is the InChIKey of 1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The InChIKey is HFWCDXFSFDOYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-19-11-15-10-14-7-4-6-13(17(14)20-15)9-12-5-2-3-8-16(12)18/h2-8,15,19H,9-11H2,1H3.
What are the key properties of 1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine has a molecular weight of 271.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 69305108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).