2-ethyl-2-methyl-3,4-dihydrochromen-4-amine

C12H17NO — CID 71695439

IUPAC2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCC1(C)CC(N)c2ccccc2O1
InChIInChI=1S/C12H17NO/c1-3-12(2)8-10(13)9-6-4-5-7-11(9)14-12/h4-7,10H,3,8,13H2,1-2H3
InChIKeyGRSLNYGHBQAPEG-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.64
Rot. Bonds1

About 2-ethyl-2-methyl-3,4-dihydrochromen-4-amine

2-ethyl-2-methyl-3,4-dihydrochromen-4-amine (PubChem CID 71695439) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
PubChem CID71695439
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-ethyl-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCC1(C)CC(N)c2ccccc2O1
InChIInChI=1S/C12H17NO/c1-3-12(2)8-10(13)9-6-4-5-7-11(9)14-12/h4-7,10H,3,8,13H2,1-2H3
InChIKeyGRSLNYGHBQAPEG-UHFFFAOYSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-ethyl-2-methyl-3,4-dihydrochromen-4-amine (CID 71695439) is 2-ethyl-2-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-ethyl-2-methyl-3,4-dihydrochromen-4-amine is CCC1(C)CC(N)c2ccccc2O1.
What is the InChIKey of 2-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is GRSLNYGHBQAPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-12(2)8-10(13)9-6-4-5-7-11(9)14-12/h4-7,10H,3,8,13H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-3,4-dihydrochromen-4-amine?
2-ethyl-2-methyl-3,4-dihydrochromen-4-amine has a molecular weight of 191.27 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 71695439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).