[(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C16H16FNO2 — CID 95229130

IUPAC[(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1ccc(-c2cccc3c2O[C@H](CN)C3)cc1F
InChIInChI=1S/C16H16FNO2/c1-19-15-6-5-10(8-14(15)17)13-4-2-3-11-7-12(9-18)20-16(11)13/h2-6,8,12H,7,9,18H2,1H3/t12-/m0/s1
InChIKeyHSQBYAMLGRKPKO-LBPRGKRZSA-N
MW273.31 g/mol
LogP2.76
Rot. Bonds3

About [(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 95229130) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is [(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID95229130
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name[(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1ccc(-c2cccc3c2O[C@H](CN)C3)cc1F
InChIInChI=1S/C16H16FNO2/c1-19-15-6-5-10(8-14(15)17)13-4-2-3-11-7-12(9-18)20-16(11)13/h2-6,8,12H,7,9,18H2,1H3/t12-/m0/s1
InChIKeyHSQBYAMLGRKPKO-LBPRGKRZSA-N
XLogP2.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-7-[3-(2-methoxyphenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95217944
[(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95225144
[7-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11219873
[(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383363
[7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56701421
[7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 69206408
[(2S)-7-(2-fluorophenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129394571
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383306
[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960767
[(2S)-7-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92981403
2-[7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]ethanamine
CID 68963224
[7-fluoro-5-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 68961723

Frequently Asked Questions

What is the IUPAC name of [(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 95229130) is [(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is COc1ccc(-c2cccc3c2O[C@H](CN)C3)cc1F.
What is the InChIKey of [(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is HSQBYAMLGRKPKO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-19-15-6-5-10(8-14(15)17)13-4-2-3-11-7-12(9-18)20-16(11)13/h2-6,8,12H,7,9,18H2,1H3/t12-/m0/s1.
What are the key properties of [(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 273.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 95229130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).