7-(propylamino)-3,4-dihydro-2H-chromen-5-ol

C12H17NO2 — CID 146197617

IUPAC7-(propylamino)-3,4-dihydro-2H-chromen-5-ol
SMILESCCCNc1cc(O)c2c(c1)OCCC2
InChIInChI=1S/C12H17NO2/c1-2-5-13-9-7-11(14)10-4-3-6-15-12(10)8-9/h7-8,13-14H,2-6H2,1H3
InChIKeyZOFJXNIJHJWIJU-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.54
Rot. Bonds3

About 7-(propylamino)-3,4-dihydro-2H-chromen-5-ol

7-(propylamino)-3,4-dihydro-2H-chromen-5-ol (PubChem CID 146197617) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 7-(propylamino)-3,4-dihydro-2H-chromen-5-ol.

Molecular Properties

Compound Name7-(propylamino)-3,4-dihydro-2H-chromen-5-ol
PubChem CID146197617
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name7-(propylamino)-3,4-dihydro-2H-chromen-5-ol
SMILESCCCNc1cc(O)c2c(c1)OCCC2
InChIInChI=1S/C12H17NO2/c1-2-5-13-9-7-11(14)10-4-3-6-15-12(10)8-9/h7-8,13-14H,2-6H2,1H3
InChIKeyZOFJXNIJHJWIJU-UHFFFAOYSA-N
XLogP2.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(propylamino)-3,4-dihydro-2H-chromen-5-ol?
The IUPAC name of 7-(propylamino)-3,4-dihydro-2H-chromen-5-ol (CID 146197617) is 7-(propylamino)-3,4-dihydro-2H-chromen-5-ol.
What is the SMILES notation for 7-(propylamino)-3,4-dihydro-2H-chromen-5-ol?
The canonical SMILES for 7-(propylamino)-3,4-dihydro-2H-chromen-5-ol is CCCNc1cc(O)c2c(c1)OCCC2.
What is the InChIKey of 7-(propylamino)-3,4-dihydro-2H-chromen-5-ol?
The InChIKey is ZOFJXNIJHJWIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-5-13-9-7-11(14)10-4-3-6-15-12(10)8-9/h7-8,13-14H,2-6H2,1H3.
What are the key properties of 7-(propylamino)-3,4-dihydro-2H-chromen-5-ol?
7-(propylamino)-3,4-dihydro-2H-chromen-5-ol has a molecular weight of 207.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(propylamino)-3,4-dihydro-2H-chromen-5-ol is sourced from PubChem (CID 146197617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).