1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine

C16H18N2O — CID 104542536

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
SMILESCNC(c1ccc2c(c1)CCO2)c1cccc(C)n1
InChIInChI=1S/C16H18N2O/c1-11-4-3-5-14(18-11)16(17-2)13-6-7-15-12(10-13)8-9-19-15/h3-7,10,16-17H,8-9H2,1-2H3
InChIKeyCGCNJDFERNRRKZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.63
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine (PubChem CID 104542536) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
PubChem CID104542536
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
SMILESCNC(c1ccc2c(c1)CCO2)c1cccc(C)n1
InChIInChI=1S/C16H18N2O/c1-11-4-3-5-14(18-11)16(17-2)13-6-7-15-12(10-13)8-9-19-15/h3-7,10,16-17H,8-9H2,1-2H3
InChIKeyCGCNJDFERNRRKZ-UHFFFAOYSA-N
XLogP2.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854608
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43482586
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
CID 103374293
1-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 62649347
1-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 43482503
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114990712
1-(1-benzothiophen-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 61407015
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 61331355
[2,3-dihydro-1-benzofuran-5-yl-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105333879
1-(3,5-dibromo-2-pyridinyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 104542845
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 61027887

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine (CID 104542536) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine is CNC(c1ccc2c(c1)CCO2)c1cccc(C)n1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine?
The InChIKey is CGCNJDFERNRRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-4-3-5-14(18-11)16(17-2)13-6-7-15-12(10-13)8-9-19-15/h3-7,10,16-17H,8-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine has a molecular weight of 254.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 104542536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).