1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine

C18H20FNO3 — CID 11964408

IUPAC1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNC[C@H]1Cc2cc(F)cc(-c3cccc(OC)c3OC)c2O1
InChIInChI=1S/C18H20FNO3/c1-20-10-13-8-11-7-12(19)9-15(17(11)23-13)14-5-4-6-16(21-2)18(14)22-3/h4-7,9,13,20H,8,10H2,1-3H3/t13-/m1/s1
InChIKeyPMJCCKKMFYASJJ-CYBMUJFWSA-N
MW317.36 g/mol
LogP3.03
Rot. Bonds5

About 1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine

1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (PubChem CID 11964408) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
PubChem CID11964408
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCNC[C@H]1Cc2cc(F)cc(-c3cccc(OC)c3OC)c2O1
InChIInChI=1S/C18H20FNO3/c1-20-10-13-8-11-7-12(19)9-15(17(11)23-13)14-5-4-6-16(21-2)18(14)22-3/h4-7,9,13,20H,8,10H2,1-3H3/t13-/m1/s1
InChIKeyPMJCCKKMFYASJJ-CYBMUJFWSA-N
XLogP3.03
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]ethanamine
CID 68963224
1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 68961482
1-[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine;hydrochloride
CID 141132350
1-[7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 11961219
[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11323664
1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 68961665
1-[7-(2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 68964502
[(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92981403
5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69181308
1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride
CID 69117191
N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 58747562
[7-(2,6-dimethylphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11448636

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine (CID 11964408) is 1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is CNC[C@H]1Cc2cc(F)cc(-c3cccc(OC)c3OC)c2O1.
What is the InChIKey of 1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
The InChIKey is PMJCCKKMFYASJJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-20-10-13-8-11-7-12(19)9-15(17(11)23-13)14-5-4-6-16(21-2)18(14)22-3/h4-7,9,13,20H,8,10H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine?
1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine has a molecular weight of 317.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 11964408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).