1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine

C18H22N2O2 — CID 119121837

IUPAC1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
SMILESCOc1ncccc1CNCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C18H22N2O2/c1-18(2)10-15-9-13(6-7-16(15)22-18)11-19-12-14-5-4-8-20-17(14)21-3/h4-9,19H,10-12H2,1-3H3
InChIKeyGTTDNXGQXDNRFW-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.09
Rot. Bonds5

About 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine

1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine (PubChem CID 119121837) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
PubChem CID119121837
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
SMILESCOc1ncccc1CNCc1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C18H22N2O2/c1-18(2)10-15-9-13(6-7-16(15)22-18)11-19-12-14-5-4-8-20-17(14)21-3/h4-9,19H,10-12H2,1-3H3
InChIKeyGTTDNXGQXDNRFW-UHFFFAOYSA-N
XLogP3.09
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine
CID 63271337
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 63271028
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103859267
1-(4-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 54920418
1-(3-chloro-4-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 65021941
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63270765
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115614218
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60859308
2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 119121988
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanamine
CID 119122037
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
CID 63270797
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methoxyaniline
CID 63271150

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine (CID 119121837) is 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine is COc1ncccc1CNCc1ccc2c(c1)CC(C)(C)O2.
What is the InChIKey of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine?
The InChIKey is GTTDNXGQXDNRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2)10-15-9-13(6-7-16(15)22-18)11-19-12-14-5-4-8-20-17(14)21-3/h4-9,19H,10-12H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine?
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine has a molecular weight of 298.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 119121837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).