7-methoxy-2,2-dimethylchromen-5-amine

C12H15NO2 — CID 10998153

IUPAC7-methoxy-2,2-dimethylchromen-5-amine
SMILESCOc1cc(N)c2c(c1)OC(C)(C)C=C2
InChIInChI=1S/C12H15NO2/c1-12(2)5-4-9-10(13)6-8(14-3)7-11(9)15-12/h4-7H,13H2,1-3H3
InChIKeyDYJCDKUXANMBIM-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.46
Rot. Bonds1

About 7-methoxy-2,2-dimethylchromen-5-amine

7-methoxy-2,2-dimethylchromen-5-amine (PubChem CID 10998153) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 7-methoxy-2,2-dimethylchromen-5-amine.

Molecular Properties

Compound Name7-methoxy-2,2-dimethylchromen-5-amine
PubChem CID10998153
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name7-methoxy-2,2-dimethylchromen-5-amine
SMILESCOc1cc(N)c2c(c1)OC(C)(C)C=C2
InChIInChI=1S/C12H15NO2/c1-12(2)5-4-9-10(13)6-8(14-3)7-11(9)15-12/h4-7H,13H2,1-3H3
InChIKeyDYJCDKUXANMBIM-UHFFFAOYSA-N
XLogP2.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2-dimethylchromen-5-amine?
The IUPAC name of 7-methoxy-2,2-dimethylchromen-5-amine (CID 10998153) is 7-methoxy-2,2-dimethylchromen-5-amine.
What is the SMILES notation for 7-methoxy-2,2-dimethylchromen-5-amine?
The canonical SMILES for 7-methoxy-2,2-dimethylchromen-5-amine is COc1cc(N)c2c(c1)OC(C)(C)C=C2.
What is the InChIKey of 7-methoxy-2,2-dimethylchromen-5-amine?
The InChIKey is DYJCDKUXANMBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2)5-4-9-10(13)6-8(14-3)7-11(9)15-12/h4-7H,13H2,1-3H3.
What are the key properties of 7-methoxy-2,2-dimethylchromen-5-amine?
7-methoxy-2,2-dimethylchromen-5-amine has a molecular weight of 205.26 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2-dimethylchromen-5-amine is sourced from PubChem (CID 10998153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).