2-ethyl-2-methylchromen-6-amine

C12H15NO — CID 69196391

IUPAC2-ethyl-2-methylchromen-6-amine
SMILESCCC1(C)C=Cc2cc(N)ccc2O1
InChIInChI=1S/C12H15NO/c1-3-12(2)7-6-9-8-10(13)4-5-11(9)14-12/h4-8H,3,13H2,1-2H3
InChIKeyGSFVDBZWNOHFIW-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.84
Rot. Bonds1

About 2-ethyl-2-methylchromen-6-amine

2-ethyl-2-methylchromen-6-amine (PubChem CID 69196391) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-ethyl-2-methylchromen-6-amine.

Molecular Properties

Compound Name2-ethyl-2-methylchromen-6-amine
PubChem CID69196391
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-ethyl-2-methylchromen-6-amine
SMILESCCC1(C)C=Cc2cc(N)ccc2O1
InChIInChI=1S/C12H15NO/c1-3-12(2)7-6-9-8-10(13)4-5-11(9)14-12/h4-8H,3,13H2,1-2H3
InChIKeyGSFVDBZWNOHFIW-UHFFFAOYSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methylchromen-6-amine?
The IUPAC name of 2-ethyl-2-methylchromen-6-amine (CID 69196391) is 2-ethyl-2-methylchromen-6-amine.
What is the SMILES notation for 2-ethyl-2-methylchromen-6-amine?
The canonical SMILES for 2-ethyl-2-methylchromen-6-amine is CCC1(C)C=Cc2cc(N)ccc2O1.
What is the InChIKey of 2-ethyl-2-methylchromen-6-amine?
The InChIKey is GSFVDBZWNOHFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-12(2)7-6-9-8-10(13)4-5-11(9)14-12/h4-8H,3,13H2,1-2H3.
What are the key properties of 2-ethyl-2-methylchromen-6-amine?
2-ethyl-2-methylchromen-6-amine has a molecular weight of 189.26 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylchromen-6-amine is sourced from PubChem (CID 69196391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).