(8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine

C12H17NO2 — CID 84722416

IUPAC(8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine
SMILESCOc1cccc2c1OCC(C)(CN)C2
InChIInChI=1S/C12H17NO2/c1-12(7-13)6-9-4-3-5-10(14-2)11(9)15-8-12/h3-5H,6-8,13H2,1-2H3
InChIKeyRAMXZHOGPHRLIU-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.60
Rot. Bonds2

About (8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine

(8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine (PubChem CID 84722416) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine.

Molecular Properties

Compound Name(8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine
PubChem CID84722416
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine
SMILESCOc1cccc2c1OCC(C)(CN)C2
InChIInChI=1S/C12H17NO2/c1-12(7-13)6-9-4-3-5-10(14-2)11(9)15-8-12/h3-5H,6-8,13H2,1-2H3
InChIKeyRAMXZHOGPHRLIU-UHFFFAOYSA-N
XLogP1.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine?
The IUPAC name of (8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine (CID 84722416) is (8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine.
What is the SMILES notation for (8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine?
The canonical SMILES for (8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine is COc1cccc2c1OCC(C)(CN)C2.
What is the InChIKey of (8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine?
The InChIKey is RAMXZHOGPHRLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(7-13)6-9-4-3-5-10(14-2)11(9)15-8-12/h3-5H,6-8,13H2,1-2H3.
What are the key properties of (8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine?
(8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine has a molecular weight of 207.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine is sourced from PubChem (CID 84722416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).