N-[[7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine

C20H17FN2O — CID 155563445

IUPACN-[[7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine
SMILESFc1cccc(-c2cc(CNc3cccnc3)cc3c2OCC3)c1
InChIInChI=1S/C20H17FN2O/c21-17-4-1-3-15(11-17)19-10-14(9-16-6-8-24-20(16)19)12-23-18-5-2-7-22-13-18/h1-5,7,9-11,13,23H,6,8,12H2
InChIKeyATLCNEHPTZEMRX-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.43
Rot. Bonds4

About N-[[7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine

N-[[7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine (PubChem CID 155563445) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[[7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[[7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine
PubChem CID155563445
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC NameN-[[7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine
SMILESFc1cccc(-c2cc(CNc3cccnc3)cc3c2OCC3)c1
InChIInChI=1S/C20H17FN2O/c21-17-4-1-3-15(11-17)19-10-14(9-16-6-8-24-20(16)19)12-23-18-5-2-7-22-13-18/h1-5,7,9-11,13,23H,6,8,12H2
InChIKeyATLCNEHPTZEMRX-UHFFFAOYSA-N
XLogP4.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine?
The IUPAC name of N-[[7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine (CID 155563445) is N-[[7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine.
What is the SMILES notation for N-[[7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine?
The canonical SMILES for N-[[7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine is Fc1cccc(-c2cc(CNc3cccnc3)cc3c2OCC3)c1.
What is the InChIKey of N-[[7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine?
The InChIKey is ATLCNEHPTZEMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O/c21-17-4-1-3-15(11-17)19-10-14(9-16-6-8-24-20(16)19)12-23-18-5-2-7-22-13-18/h1-5,7,9-11,13,23H,6,8,12H2.
What are the key properties of N-[[7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine?
N-[[7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine has a molecular weight of 320.37 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-5-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 155563445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).