[(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine

C17H18FNO3 — CID 92981403

IUPAC[(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1ccc(OC)c(-c2cc(F)cc3c2O[C@H](CN)C3)c1
InChIInChI=1S/C17H18FNO3/c1-20-12-3-4-16(21-2)14(8-12)15-7-11(18)5-10-6-13(9-19)22-17(10)15/h3-5,7-8,13H,6,9,19H2,1-2H3/t13-/m0/s1
InChIKeyLWGMIKVAAADCSE-ZDUSSCGKSA-N
MW303.33 g/mol
LogP2.77
Rot. Bonds4

About [(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 92981403) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is [(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID92981403
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name[(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1ccc(OC)c(-c2cc(F)cc3c2O[C@H](CN)C3)c1
InChIInChI=1S/C17H18FNO3/c1-20-12-3-4-16(21-2)14(8-12)15-7-11(18)5-10-6-13(9-19)22-17(10)15/h3-5,7-8,13H,6,9,19H2,1-2H3/t13-/m0/s1
InChIKeyLWGMIKVAAADCSE-ZDUSSCGKSA-N
XLogP2.77
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 15941645
[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11323664
[5-fluoro-7-(5-methoxy-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11403470
[7-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11219873
[(2S)-7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129394571
1-[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 68961482
2-[7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]ethanamine
CID 68963224
[(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383363
[7-(2,6-dimethylphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11448636
[7-(2,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11404165
[(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95229130
[(2R)-7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride
CID 141153986

Frequently Asked Questions

What is the IUPAC name of [(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 92981403) is [(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine is COc1ccc(OC)c(-c2cc(F)cc3c2O[C@H](CN)C3)c1.
What is the InChIKey of [(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is LWGMIKVAAADCSE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-20-12-3-4-16(21-2)14(8-12)15-7-11(18)5-10-6-13(9-19)22-17(10)15/h3-5,7-8,13H,6,9,19H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 303.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 92981403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).