1-(2,6-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanamine

C13H19NO — CID 117097187

IUPAC1-(2,6-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanamine
SMILESCc1cc2c(c(C(C)N)c1)OC(C)CC2
InChIInChI=1S/C13H19NO/c1-8-6-11-5-4-9(2)15-13(11)12(7-8)10(3)14/h6-7,9-10H,4-5,14H2,1-3H3
InChIKeyFQJCOKKFSPOFQB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.73
Rot. Bonds1

About 1-(2,6-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanamine

1-(2,6-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanamine (PubChem CID 117097187) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanamine.

Molecular Properties

Compound Name1-(2,6-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanamine
PubChem CID117097187
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2,6-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanamine
SMILESCc1cc2c(c(C(C)N)c1)OC(C)CC2
InChIInChI=1S/C13H19NO/c1-8-6-11-5-4-9(2)15-13(11)12(7-8)10(3)14/h6-7,9-10H,4-5,14H2,1-3H3
InChIKeyFQJCOKKFSPOFQB-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanamine?
The IUPAC name of 1-(2,6-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanamine (CID 117097187) is 1-(2,6-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanamine.
What is the SMILES notation for 1-(2,6-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanamine?
The canonical SMILES for 1-(2,6-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanamine is Cc1cc2c(c(C(C)N)c1)OC(C)CC2.
What is the InChIKey of 1-(2,6-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanamine?
The InChIKey is FQJCOKKFSPOFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8-6-11-5-4-9(2)15-13(11)12(7-8)10(3)14/h6-7,9-10H,4-5,14H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanamine?
1-(2,6-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanamine is sourced from PubChem (CID 117097187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).