N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine

C16H16N2O2 — CID 80700524

IUPACN-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine
SMILESCOc1cc(CNCc2coc3ccccc23)ccn1
InChIInChI=1S/C16H16N2O2/c1-19-16-8-12(6-7-18-16)9-17-10-13-11-20-15-5-3-2-4-14(13)15/h2-8,11,17H,9-10H2,1H3
InChIKeyVMMLZXYKQUTDFQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.13
Rot. Bonds5

About N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine

N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine (PubChem CID 80700524) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine
PubChem CID80700524
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine
SMILESCOc1cc(CNCc2coc3ccccc23)ccn1
InChIInChI=1S/C16H16N2O2/c1-19-16-8-12(6-7-18-16)9-17-10-13-11-20-15-5-3-2-4-14(13)15/h2-8,11,17H,9-10H2,1H3
InChIKeyVMMLZXYKQUTDFQ-UHFFFAOYSA-N
XLogP3.13
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine (CID 80700524) is N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine is COc1cc(CNCc2coc3ccccc23)ccn1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine?
The InChIKey is VMMLZXYKQUTDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-19-16-8-12(6-7-18-16)9-17-10-13-11-20-15-5-3-2-4-14(13)15/h2-8,11,17H,9-10H2,1H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine?
N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine has a molecular weight of 268.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine is sourced from PubChem (CID 80700524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).