7-(2,4-difluorophenyl)-N,N-diethyl-5-methoxy-2,3-dihydro-1-benzofuran-2-amine

C19H21F2NO2 — CID 69260002

IUPAC7-(2,4-difluorophenyl)-N,N-diethyl-5-methoxy-2,3-dihydro-1-benzofuran-2-amine
SMILESCCN(CC)C1Cc2cc(OC)cc(-c3ccc(F)cc3F)c2O1
InChIInChI=1S/C19H21F2NO2/c1-4-22(5-2)18-9-12-8-14(23-3)11-16(19(12)24-18)15-7-6-13(20)10-17(15)21/h6-8,10-11,18H,4-5,9H2,1-3H3
InChIKeyNHCOHILCWJLQMP-UHFFFAOYSA-N
MW333.38 g/mol
LogP4.24
Rot. Bonds5

About 7-(2,4-difluorophenyl)-N,N-diethyl-5-methoxy-2,3-dihydro-1-benzofuran-2-amine

7-(2,4-difluorophenyl)-N,N-diethyl-5-methoxy-2,3-dihydro-1-benzofuran-2-amine (PubChem CID 69260002) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is 7-(2,4-difluorophenyl)-N,N-diethyl-5-methoxy-2,3-dihydro-1-benzofuran-2-amine.

Molecular Properties

Compound Name7-(2,4-difluorophenyl)-N,N-diethyl-5-methoxy-2,3-dihydro-1-benzofuran-2-amine
PubChem CID69260002
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC Name7-(2,4-difluorophenyl)-N,N-diethyl-5-methoxy-2,3-dihydro-1-benzofuran-2-amine
SMILESCCN(CC)C1Cc2cc(OC)cc(-c3ccc(F)cc3F)c2O1
InChIInChI=1S/C19H21F2NO2/c1-4-22(5-2)18-9-12-8-14(23-3)11-16(19(12)24-18)15-7-6-13(20)10-17(15)21/h6-8,10-11,18H,4-5,9H2,1-3H3
InChIKeyNHCOHILCWJLQMP-UHFFFAOYSA-N
XLogP4.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-difluorophenyl)-N,N-diethyl-5-methoxy-2,3-dihydro-1-benzofuran-2-amine?
The IUPAC name of 7-(2,4-difluorophenyl)-N,N-diethyl-5-methoxy-2,3-dihydro-1-benzofuran-2-amine (CID 69260002) is 7-(2,4-difluorophenyl)-N,N-diethyl-5-methoxy-2,3-dihydro-1-benzofuran-2-amine.
What is the SMILES notation for 7-(2,4-difluorophenyl)-N,N-diethyl-5-methoxy-2,3-dihydro-1-benzofuran-2-amine?
The canonical SMILES for 7-(2,4-difluorophenyl)-N,N-diethyl-5-methoxy-2,3-dihydro-1-benzofuran-2-amine is CCN(CC)C1Cc2cc(OC)cc(-c3ccc(F)cc3F)c2O1.
What is the InChIKey of 7-(2,4-difluorophenyl)-N,N-diethyl-5-methoxy-2,3-dihydro-1-benzofuran-2-amine?
The InChIKey is NHCOHILCWJLQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-4-22(5-2)18-9-12-8-14(23-3)11-16(19(12)24-18)15-7-6-13(20)10-17(15)21/h6-8,10-11,18H,4-5,9H2,1-3H3.
What are the key properties of 7-(2,4-difluorophenyl)-N,N-diethyl-5-methoxy-2,3-dihydro-1-benzofuran-2-amine?
7-(2,4-difluorophenyl)-N,N-diethyl-5-methoxy-2,3-dihydro-1-benzofuran-2-amine has a molecular weight of 333.38 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-difluorophenyl)-N,N-diethyl-5-methoxy-2,3-dihydro-1-benzofuran-2-amine is sourced from PubChem (CID 69260002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).