[7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C16H18N2O — CID 56701421

IUPAC[7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cc(-c2cccc3c2OC(CN)C3)cc(C)n1
InChIInChI=1S/C16H18N2O/c1-10-6-13(7-11(2)18-10)15-5-3-4-12-8-14(9-17)19-16(12)15/h3-7,14H,8-9,17H2,1-2H3
InChIKeyHSVNIKVLCQFRGP-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.63
Rot. Bonds2

About [7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 56701421) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is [7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID56701421
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name[7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESCc1cc(-c2cccc3c2OC(CN)C3)cc(C)n1
InChIInChI=1S/C16H18N2O/c1-10-6-13(7-11(2)18-10)15-5-3-4-12-8-14(9-17)19-16(12)15/h3-7,14H,8-9,17H2,1-2H3
InChIKeyHSVNIKVLCQFRGP-UHFFFAOYSA-N
XLogP2.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11960767
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383306
[(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95225144
2-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-6-methylpyridine-3-carbonitrile
CID 56701420
[7-(2-methylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56715765
[(2R)-7-[3-(2-methoxyphenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95217944
[7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56716314
[(2R)-7-(3-methylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95205980
(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine;hydrochloride
CID 138399168
[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95388290
[(2R)-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95220358
[7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56711734

Frequently Asked Questions

What is the IUPAC name of [7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 56701421) is [7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is Cc1cc(-c2cccc3c2OC(CN)C3)cc(C)n1.
What is the InChIKey of [7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is HSVNIKVLCQFRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10-6-13(7-11(2)18-10)15-5-3-4-12-8-14(9-17)19-16(12)15/h3-7,14H,8-9,17H2,1-2H3.
What are the key properties of [7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 254.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 56701421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).