8-methoxy-N-(3-pyridin-3-yloxypropyl)-3,4-dihydro-2H-chromen-3-amine

C18H22N2O3 — CID 45186409

IUPAC8-methoxy-N-(3-pyridin-3-yloxypropyl)-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1OCC(NCCCOc1cccnc1)C2
InChIInChI=1S/C18H22N2O3/c1-21-17-7-2-5-14-11-15(13-23-18(14)17)20-9-4-10-22-16-6-3-8-19-12-16/h2-3,5-8,12,15,20H,4,9-11,13H2,1H3
InChIKeyJFZWWWFLXWFDNG-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.45
Rot. Bonds7

About 8-methoxy-N-(3-pyridin-3-yloxypropyl)-3,4-dihydro-2H-chromen-3-amine

8-methoxy-N-(3-pyridin-3-yloxypropyl)-3,4-dihydro-2H-chromen-3-amine (PubChem CID 45186409) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 8-methoxy-N-(3-pyridin-3-yloxypropyl)-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name8-methoxy-N-(3-pyridin-3-yloxypropyl)-3,4-dihydro-2H-chromen-3-amine
PubChem CID45186409
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name8-methoxy-N-(3-pyridin-3-yloxypropyl)-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1OCC(NCCCOc1cccnc1)C2
InChIInChI=1S/C18H22N2O3/c1-21-17-7-2-5-14-11-15(13-23-18(14)17)20-9-4-10-22-16-6-3-8-19-12-16/h2-3,5-8,12,15,20H,4,9-11,13H2,1H3
InChIKeyJFZWWWFLXWFDNG-UHFFFAOYSA-N
XLogP2.45
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(3-pyridin-3-yloxypropyl)-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 8-methoxy-N-(3-pyridin-3-yloxypropyl)-3,4-dihydro-2H-chromen-3-amine (CID 45186409) is 8-methoxy-N-(3-pyridin-3-yloxypropyl)-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 8-methoxy-N-(3-pyridin-3-yloxypropyl)-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 8-methoxy-N-(3-pyridin-3-yloxypropyl)-3,4-dihydro-2H-chromen-3-amine is COc1cccc2c1OCC(NCCCOc1cccnc1)C2.
What is the InChIKey of 8-methoxy-N-(3-pyridin-3-yloxypropyl)-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is JFZWWWFLXWFDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-21-17-7-2-5-14-11-15(13-23-18(14)17)20-9-4-10-22-16-6-3-8-19-12-16/h2-3,5-8,12,15,20H,4,9-11,13H2,1H3.
What are the key properties of 8-methoxy-N-(3-pyridin-3-yloxypropyl)-3,4-dihydro-2H-chromen-3-amine?
8-methoxy-N-(3-pyridin-3-yloxypropyl)-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 314.38 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(3-pyridin-3-yloxypropyl)-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 45186409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).