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

C10H13NO2 — CID 3041601

IUPAC7-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1ccc2c(c1)OCC(N)C2
InChIInChI=1S/C10H13NO2/c1-12-9-3-2-7-4-8(11)6-13-10(7)5-9/h2-3,5,8H,4,6,11H2,1H3
InChIKeyJGIHXVOYCDUASG-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.96
Rot. Bonds1

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

7-methoxy-3,4-dihydro-2H-chromen-3-amine (PubChem CID 3041601) 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-3-amine.

Molecular Properties

Compound Name7-methoxy-3,4-dihydro-2H-chromen-3-amine
PubChem CID3041601
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name7-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1ccc2c(c1)OCC(N)C2
InChIInChI=1S/C10H13NO2/c1-12-9-3-2-7-4-8(11)6-13-10(7)5-9/h2-3,5,8H,4,6,11H2,1H3
InChIKeyJGIHXVOYCDUASG-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
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-3-amine?
The IUPAC name of 7-methoxy-3,4-dihydro-2H-chromen-3-amine (CID 3041601) is 7-methoxy-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 7-methoxy-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 7-methoxy-3,4-dihydro-2H-chromen-3-amine is COc1ccc2c(c1)OCC(N)C2.
What is the InChIKey of 7-methoxy-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is JGIHXVOYCDUASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-12-9-3-2-7-4-8(11)6-13-10(7)5-9/h2-3,5,8H,4,6,11H2,1H3.
What are the key properties of 7-methoxy-3,4-dihydro-2H-chromen-3-amine?
7-methoxy-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 179.22 g/mol, XLogP of 0.96, 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-3-amine is sourced from PubChem (CID 3041601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).