6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine

C12H16ClNO — CID 82194427

IUPAC6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine
SMILESCCC1(N)CCOc2c(C)cc(Cl)cc21
InChIInChI=1S/C12H16ClNO/c1-3-12(14)4-5-15-11-8(2)6-9(13)7-10(11)12/h6-7H,3-5,14H2,1-2H3
InChIKeyXFHGEDCHLHXLJQ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.99
Rot. Bonds1

About 6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine

6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine (PubChem CID 82194427) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine
PubChem CID82194427
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine
SMILESCCC1(N)CCOc2c(C)cc(Cl)cc21
InChIInChI=1S/C12H16ClNO/c1-3-12(14)4-5-15-11-8(2)6-9(13)7-10(11)12/h6-7H,3-5,14H2,1-2H3
InChIKeyXFHGEDCHLHXLJQ-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine?
The IUPAC name of 6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine (CID 82194427) is 6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine.
What is the SMILES notation for 6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine?
The canonical SMILES for 6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine is CCC1(N)CCOc2c(C)cc(Cl)cc21.
What is the InChIKey of 6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine?
The InChIKey is XFHGEDCHLHXLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-12(14)4-5-15-11-8(2)6-9(13)7-10(11)12/h6-7H,3-5,14H2,1-2H3.
What are the key properties of 6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine?
6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine has a molecular weight of 225.72 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethyl-8-methyl-2,3-dihydrochromen-4-amine is sourced from PubChem (CID 82194427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).