2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine

C16H18N2O2 — CID 175298871

IUPAC2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine
SMILESCNc1ccc2c(c1)CCC(c1ccc(OC)nc1)O2
InChIInChI=1S/C16H18N2O2/c1-17-13-5-7-14-11(9-13)3-6-15(20-14)12-4-8-16(19-2)18-10-12/h4-5,7-10,15,17H,3,6H2,1-2H3
InChIKeyUDSSRGMKHFPJTJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.20
Rot. Bonds3

About 2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine

2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine (PubChem CID 175298871) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine
PubChem CID175298871
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine
SMILESCNc1ccc2c(c1)CCC(c1ccc(OC)nc1)O2
InChIInChI=1S/C16H18N2O2/c1-17-13-5-7-14-11(9-13)3-6-15(20-14)12-4-8-16(19-2)18-10-12/h4-5,7-10,15,17H,3,6H2,1-2H3
InChIKeyUDSSRGMKHFPJTJ-UHFFFAOYSA-N
XLogP3.20
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine (CID 175298871) is 2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine is CNc1ccc2c(c1)CCC(c1ccc(OC)nc1)O2.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine?
The InChIKey is UDSSRGMKHFPJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-17-13-5-7-14-11(9-13)3-6-15(20-14)12-4-8-16(19-2)18-10-12/h4-5,7-10,15,17H,3,6H2,1-2H3.
What are the key properties of 2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine?
2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine has a molecular weight of 270.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine is sourced from PubChem (CID 175298871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).