7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine

C15H21NO3 — CID 75422627

IUPAC7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OCCC2NC1CCOCC1
InChIInChI=1S/C15H21NO3/c1-17-12-2-3-13-14(6-9-19-15(13)10-12)16-11-4-7-18-8-5-11/h2-3,10-11,14,16H,4-9H2,1H3
InChIKeyAATQXDLWSDFYKN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.29
Rot. Bonds3

About 7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine

7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 75422627) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID75422627
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OCCC2NC1CCOCC1
InChIInChI=1S/C15H21NO3/c1-17-12-2-3-13-14(6-9-19-15(13)10-12)16-11-4-7-18-8-5-11/h2-3,10-11,14,16H,4-9H2,1H3
InChIKeyAATQXDLWSDFYKN-UHFFFAOYSA-N
XLogP2.29
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 75422627) is 7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)OCCC2NC1CCOCC1.
What is the InChIKey of 7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AATQXDLWSDFYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-17-12-2-3-13-14(6-9-19-15(13)10-12)16-11-4-7-18-8-5-11/h2-3,10-11,14,16H,4-9H2,1H3.
What are the key properties of 7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 263.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 75422627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).