1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine

C17H17FN2O — CID 66363550

IUPAC1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(CC1Cc3cc(F)ccc3O1)CC2
InChIInChI=1S/C17H17FN2O/c18-13-2-4-17-12(7-13)8-15(21-17)10-20-6-5-11-1-3-14(19)9-16(11)20/h1-4,7,9,15H,5-6,8,10,19H2
InChIKeyODGAHDKPAZOJGX-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.77
Rot. Bonds2

About 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine

1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine (PubChem CID 66363550) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine
PubChem CID66363550
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(CC1Cc3cc(F)ccc3O1)CC2
InChIInChI=1S/C17H17FN2O/c18-13-2-4-17-12(7-13)8-15(21-17)10-20-6-5-11-1-3-14(19)9-16(11)20/h1-4,7,9,15H,5-6,8,10,19H2
InChIKeyODGAHDKPAZOJGX-UHFFFAOYSA-N
XLogP2.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine
CID 66362726
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]indol-5-amine
CID 66364702
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
5-(aminomethyl)-3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazolidin-2-one
CID 112594323
[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-2-yl]methanamine
CID 66364320
4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]-3-methylaniline
CID 66362969
5-amino-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one
CID 103218410
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpiperidin-4-amine
CID 115313152
1-(2-chloroethyl)-4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine
CID 66361479
1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine
CID 66366018
3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine
CID 66362056
3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one
CID 66365093

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine (CID 66363550) is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine is Nc1ccc2c(c1)N(CC1Cc3cc(F)ccc3O1)CC2.
What is the InChIKey of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine?
The InChIKey is ODGAHDKPAZOJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-13-2-4-17-12(7-13)8-15(21-17)10-20-6-5-11-1-3-14(19)9-16(11)20/h1-4,7,9,15H,5-6,8,10,19H2.
What are the key properties of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine?
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine has a molecular weight of 284.33 g/mol, XLogP of 2.77, 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]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 66363550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).