5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine

C12H15Cl2NO — CID 64698506

IUPAC5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
SMILESCNC1CC(C)(C)Oc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C12H15Cl2NO/c1-12(2)6-9(15-3)10-7(13)4-5-8(14)11(10)16-12/h4-5,9,15H,6H2,1-3H3
InChIKeyOXJKAJOLIYWHFX-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.82
Rot. Bonds1

About 5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine

5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine (PubChem CID 64698506) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
PubChem CID64698506
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
SMILESCNC1CC(C)(C)Oc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C12H15Cl2NO/c1-12(2)6-9(15-3)10-7(13)4-5-8(14)11(10)16-12/h4-5,9,15H,6H2,1-3H3
InChIKeyOXJKAJOLIYWHFX-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine (CID 64698506) is 5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine is CNC1CC(C)(C)Oc2c(Cl)ccc(Cl)c21.
What is the InChIKey of 5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is OXJKAJOLIYWHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-12(2)6-9(15-3)10-7(13)4-5-8(14)11(10)16-12/h4-5,9,15H,6H2,1-3H3.
What are the key properties of 5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine?
5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 260.16 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 64698506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).