N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine

C20H24FNO — CID 69262092

IUPACN-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCN(CC)CC1Cc2cc(F)cc(-c3ccccc3C)c2O1
InChIInChI=1S/C20H24FNO/c1-4-22(5-2)13-17-11-15-10-16(21)12-19(20(15)23-17)18-9-7-6-8-14(18)3/h6-10,12,17H,4-5,11,13H2,1-3H3
InChIKeyPOUCFCWLQXSQLW-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.45
Rot. Bonds5

About N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine

N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine (PubChem CID 69262092) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine
PubChem CID69262092
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC NameN-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCN(CC)CC1Cc2cc(F)cc(-c3ccccc3C)c2O1
InChIInChI=1S/C20H24FNO/c1-4-22(5-2)13-17-11-15-10-16(21)12-19(20(15)23-17)18-9-7-6-8-14(18)3/h6-10,12,17H,4-5,11,13H2,1-3H3
InChIKeyPOUCFCWLQXSQLW-UHFFFAOYSA-N
XLogP4.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[5-(2,3-Dimethylphenoxy)pentyl]morpholine
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N,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine
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[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 10521895
1-[2-(4-Benzyl-3-fluoro-phenoxy)-ethyl]-pyrrolidine
CID 10566070
[2-(2,3-Dihydro-benzofuran-6-yl)-ethyl]-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 10594104
1-[2-(4-Benzyl-2-fluoro-phenoxy)-ethyl]-pyrrolidine
CID 10709281
4-[2-[(3E)-3-[(2-methoxyphenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 118332418
(3aS,9bS)-3,3a-dimethyl-6-phenyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrole
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1-[(2S,6R)-3,13-dioxatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),7,9,11,15,17-hexaen-4-yl]-N,N-dimethylmethanamine
CID 44326358

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine (CID 69262092) is N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine is CCN(CC)CC1Cc2cc(F)cc(-c3ccccc3C)c2O1.
What is the InChIKey of N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine?
The InChIKey is POUCFCWLQXSQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c1-4-22(5-2)13-17-11-15-10-16(21)12-19(20(15)23-17)18-9-7-6-8-14(18)3/h6-10,12,17H,4-5,11,13H2,1-3H3.
What are the key properties of N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine?
N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine has a molecular weight of 313.42 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 69262092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).