7-methoxy-3,4-dihydro-2H-chromen-4-amine

C10H13NO2 — CID 54595383

IUPAC7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OCCC2N
InChIInChI=1S/C10H13NO2/c1-12-7-2-3-8-9(11)4-5-13-10(8)6-7/h2-3,6,9H,4-5,11H2,1H3
InChIKeyRKCMZVXMWWKKAH-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.48
Rot. Bonds1

About 7-methoxy-3,4-dihydro-2H-chromen-4-amine

7-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 54595383) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 7-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID54595383
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OCCC2N
InChIInChI=1S/C10H13NO2/c1-12-7-2-3-8-9(11)4-5-13-10(8)6-7/h2-3,6,9H,4-5,11H2,1H3
InChIKeyRKCMZVXMWWKKAH-UHFFFAOYSA-N
XLogP1.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 54595383) is 7-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)OCCC2N.
What is the InChIKey of 7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RKCMZVXMWWKKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-12-7-2-3-8-9(11)4-5-13-10(8)6-7/h2-3,6,9H,4-5,11H2,1H3.
What are the key properties of 7-methoxy-3,4-dihydro-2H-chromen-4-amine?
7-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 179.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 54595383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).