[(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C18H21NO4 — CID 95225144

IUPAC[(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1cc(-c2cccc3c2O[C@@H](CN)C3)cc(OC)c1OC
InChIInChI=1S/C18H21NO4/c1-20-15-8-12(9-16(21-2)18(15)22-3)14-6-4-5-11-7-13(10-19)23-17(11)14/h4-6,8-9,13H,7,10,19H2,1-3H3/t13-/m1/s1
InChIKeyJPJMUHQWKVLRNH-CYBMUJFWSA-N
MW315.37 g/mol
LogP2.64
Rot. Bonds5

About [(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 95225144) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is [(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID95225144
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name[(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCOc1cc(-c2cccc3c2O[C@@H](CN)C3)cc(OC)c1OC
InChIInChI=1S/C18H21NO4/c1-20-15-8-12(9-16(21-2)18(15)22-3)14-6-4-5-11-7-13(10-19)23-17(11)14/h4-6,8-9,13H,7,10,19H2,1-3H3/t13-/m1/s1
InChIKeyJPJMUHQWKVLRNH-CYBMUJFWSA-N
XLogP2.64
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-7-[3-(2-methoxyphenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95217944
[(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95229130
[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
[(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
[7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56716314
4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide
CID 56702059
[7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56711734
[(2R)-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95220358
[7-[3-(2,2,2-trifluoroethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 69206408

Frequently Asked Questions

What is the IUPAC name of [(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 95225144) is [(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is COc1cc(-c2cccc3c2O[C@@H](CN)C3)cc(OC)c1OC.
What is the InChIKey of [(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is JPJMUHQWKVLRNH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21NO4/c1-20-15-8-12(9-16(21-2)18(15)22-3)14-6-4-5-11-7-13(10-19)23-17(11)14/h4-6,8-9,13H,7,10,19H2,1-3H3/t13-/m1/s1.
What are the key properties of [(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 315.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 95225144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).