1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine

C16H18N2O — CID 105189432

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
SMILESCNC(c1ccc(C)nc1)c1cccc2c1OCC2
InChIInChI=1S/C16H18N2O/c1-11-6-7-13(10-18-11)15(17-2)14-5-3-4-12-8-9-19-16(12)14/h3-7,10,15,17H,8-9H2,1-2H3
InChIKeyVIWXJPWNDCQXMY-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.63
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine

1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine (PubChem CID 105189432) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
PubChem CID105189432
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
SMILESCNC(c1ccc(C)nc1)c1cccc2c1OCC2
InChIInChI=1S/C16H18N2O/c1-11-6-7-13(10-18-11)15(17-2)14-5-3-4-12-8-9-19-16(12)14/h3-7,10,15,17H,8-9H2,1-2H3
InChIKeyVIWXJPWNDCQXMY-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-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114745069
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 114745170
4-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline
CID 105189461
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854608
1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 114745158
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105189498
3-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline
CID 105189391
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 114745874
1-(2,3-dihydro-1-benzofuran-7-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)-N-methylmethanamine
CID 105189437
N-methyl-1-(6-methyl-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115854651
1-(4-bromo-2-methylphenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053222
1-(3-bromo-2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053440

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine (CID 105189432) is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine is CNC(c1ccc(C)nc1)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is VIWXJPWNDCQXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-6-7-13(10-18-11)15(17-2)14-5-3-4-12-8-9-19-16(12)14/h3-7,10,15,17H,8-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine?
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-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-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105189432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).