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

C16H18N2O — CID 115854608

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
SMILESCNC(c1ccc(C)nc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H18N2O/c1-11-3-4-14(10-18-11)16(17-2)13-5-6-15-12(9-13)7-8-19-15/h3-6,9-10,16-17H,7-8H2,1-2H3
InChIKeyIIPOTEVVPKCPKC-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.63
Rot. Bonds3

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

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine (PubChem CID 115854608) 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-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
PubChem CID115854608
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
SMILESCNC(c1ccc(C)nc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H18N2O/c1-11-3-4-14(10-18-11)16(17-2)13-5-6-15-12(9-13)7-8-19-15/h3-6,9-10,16-17H,7-8H2,1-2H3
InChIKeyIIPOTEVVPKCPKC-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-(4-methylphenyl)methanamine
CID 43482586
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 104542536
1-(3,5-dibromo-2-pyridinyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 104542845
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 105189432
[(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105253191
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 61027887
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114990712
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105031866
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
CID 103374293
1-(3,4-dichlorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 81492006
1-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 43482503

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine (CID 115854608) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine is CNC(c1ccc(C)nc1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is IIPOTEVVPKCPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-3-4-14(10-18-11)16(17-2)13-5-6-15-12(9-13)7-8-19-15/h3-6,9-10,16-17H,7-8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine?
1-(2,3-dihydro-1-benzofuran-5-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-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 115854608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).