N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine

C13H19NO3 — CID 81481795

IUPACN-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCCOc1ccc2c(c1)C(NOC)CCO2
InChIInChI=1S/C13H19NO3/c1-3-7-16-10-4-5-13-11(9-10)12(14-15-2)6-8-17-13/h4-5,9,12,14H,3,6-8H2,1-2H3
InChIKeyAVLIKDUPKXPGAA-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.45
Rot. Bonds5

About N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine

N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 81481795) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID81481795
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCCOc1ccc2c(c1)C(NOC)CCO2
InChIInChI=1S/C13H19NO3/c1-3-7-16-10-4-5-13-11(9-10)12(14-15-2)6-8-17-13/h4-5,9,12,14H,3,6-8H2,1-2H3
InChIKeyAVLIKDUPKXPGAA-UHFFFAOYSA-N
XLogP2.45
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine (CID 81481795) is N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine is CCCOc1ccc2c(c1)C(NOC)CCO2.
What is the InChIKey of N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AVLIKDUPKXPGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-7-16-10-4-5-13-11(9-10)12(14-15-2)6-8-17-13/h4-5,9,12,14H,3,6-8H2,1-2H3.
What are the key properties of N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine?
N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 237.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 81481795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).