1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine

C17H15FN2O — CID 66364702

IUPAC1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine
SMILESNc1ccc2c(ccn2CC2Cc3cc(F)ccc3O2)c1
InChIInChI=1S/C17H15FN2O/c18-13-1-4-17-12(7-13)9-15(21-17)10-20-6-5-11-8-14(19)2-3-16(11)20/h1-8,15H,9-10,19H2
InChIKeySZBHSUFHZNFLHH-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.37
Rot. Bonds2

About 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine

1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine (PubChem CID 66364702) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine.

Molecular Properties

Compound Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine
PubChem CID66364702
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine
SMILESNc1ccc2c(ccn2CC2Cc3cc(F)ccc3O2)c1
InChIInChI=1S/C17H15FN2O/c18-13-1-4-17-12(7-13)9-15(21-17)10-20-6-5-11-8-14(19)2-3-16(11)20/h1-8,15H,9-10,19H2
InChIKeySZBHSUFHZNFLHH-UHFFFAOYSA-N
XLogP3.37
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine?
The IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine (CID 66364702) is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine.
What is the SMILES notation for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine?
The canonical SMILES for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine is Nc1ccc2c(ccn2CC2Cc3cc(F)ccc3O2)c1.
What is the InChIKey of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine?
The InChIKey is SZBHSUFHZNFLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-13-1-4-17-12(7-13)9-15(21-17)10-20-6-5-11-8-14(19)2-3-16(11)20/h1-8,15H,9-10,19H2.
What are the key properties of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine?
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine has a molecular weight of 282.32 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine is sourced from PubChem (CID 66364702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).