2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine

C18H20N2O2 — CID 57170099

IUPAC2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine
SMILESNc1ccc2c(c1)CCC(NC1CCc3ccccc3O1)O2
InChIInChI=1S/C18H20N2O2/c19-14-7-8-16-13(11-14)6-10-18(22-16)20-17-9-5-12-3-1-2-4-15(12)21-17/h1-4,7-8,11,17-18,20H,5-6,9-10,19H2
InChIKeyJZRVXZHKNBPSQA-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.86
Rot. Bonds2

About 2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine

2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine (PubChem CID 57170099) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine.

Molecular Properties

Compound Name2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine
PubChem CID57170099
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine
SMILESNc1ccc2c(c1)CCC(NC1CCc3ccccc3O1)O2
InChIInChI=1S/C18H20N2O2/c19-14-7-8-16-13(11-14)6-10-18(22-16)20-17-9-5-12-3-1-2-4-15(12)21-17/h1-4,7-8,11,17-18,20H,5-6,9-10,19H2
InChIKeyJZRVXZHKNBPSQA-UHFFFAOYSA-N
XLogP2.86
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine?
The IUPAC name of 2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine (CID 57170099) is 2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine.
What is the SMILES notation for 2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine?
The canonical SMILES for 2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine is Nc1ccc2c(c1)CCC(NC1CCc3ccccc3O1)O2.
What is the InChIKey of 2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine?
The InChIKey is JZRVXZHKNBPSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c19-14-7-8-16-13(11-14)6-10-18(22-16)20-17-9-5-12-3-1-2-4-15(12)21-17/h1-4,7-8,11,17-18,20H,5-6,9-10,19H2.
What are the key properties of 2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine?
2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine has a molecular weight of 296.37 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine is sourced from PubChem (CID 57170099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).