N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine

C16H16N2O — CID 114732239

IUPACN-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine
SMILESCNCc1cncc(-c2cc3cc(C)ccc3o2)c1
InChIInChI=1S/C16H16N2O/c1-11-3-4-15-13(5-11)7-16(19-15)14-6-12(8-17-2)9-18-10-14/h3-7,9-10,17H,8H2,1-2H3
InChIKeyCATRVPDAVVYIIP-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.52
Rot. Bonds3

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

N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine (PubChem CID 114732239) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine
PubChem CID114732239
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine
SMILESCNCc1cncc(-c2cc3cc(C)ccc3o2)c1
InChIInChI=1S/C16H16N2O/c1-11-3-4-15-13(5-11)7-16(19-15)14-6-12(8-17-2)9-18-10-14/h3-7,9-10,17H,8H2,1-2H3
InChIKeyCATRVPDAVVYIIP-UHFFFAOYSA-N
XLogP3.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 114732262
N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine
CID 114732428
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55039542
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine
CID 112755713
1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114732268
N-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734538
N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62343088
N-methyl-1-[5-(2-phenylpyrazol-3-yl)-3-pyridinyl]methanamine
CID 107331059
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(5-methyl-3-pyridinyl)methanamine
CID 105173880
1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 107514107
N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732246
1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 113469756

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine (CID 114732239) is N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine is CNCc1cncc(-c2cc3cc(C)ccc3o2)c1.
What is the InChIKey of N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine?
The InChIKey is CATRVPDAVVYIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-3-4-15-13(5-11)7-16(19-15)14-6-12(8-17-2)9-18-10-14/h3-7,9-10,17H,8H2,1-2H3.
What are the key properties of N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine?
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine has a molecular weight of 252.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 114732239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).