1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine

C17H20N2O2 — CID 174237193

IUPAC1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine
SMILESCNCC1CCOc2c(-c3ccncc3OC)cccc21
InChIInChI=1S/C17H20N2O2/c1-18-10-12-7-9-21-17-13(12)4-3-5-15(17)14-6-8-19-11-16(14)20-2/h3-6,8,11-12,18H,7,9-10H2,1-2H3
InChIKeyVFBWIKANXXHLBC-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.84
Rot. Bonds4

About 1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine

1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine (PubChem CID 174237193) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine
PubChem CID174237193
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine
SMILESCNCC1CCOc2c(-c3ccncc3OC)cccc21
InChIInChI=1S/C17H20N2O2/c1-18-10-12-7-9-21-17-13(12)4-3-5-15(17)14-6-8-19-11-16(14)20-2/h3-6,8,11-12,18H,7,9-10H2,1-2H3
InChIKeyVFBWIKANXXHLBC-UHFFFAOYSA-N
XLogP2.84
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine (CID 174237193) is 1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine is CNCC1CCOc2c(-c3ccncc3OC)cccc21.
What is the InChIKey of 1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine?
The InChIKey is VFBWIKANXXHLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-18-10-12-7-9-21-17-13(12)4-3-5-15(17)14-6-8-19-11-16(14)20-2/h3-6,8,11-12,18H,7,9-10H2,1-2H3.
What are the key properties of 1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine?
1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine has a molecular weight of 284.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(3-methoxy-4-pyridinyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine is sourced from PubChem (CID 174237193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).