8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine

C12H16BrNO — CID 64696649

IUPAC8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine
SMILESCc1cc(Br)c2c(c1)C(N)CC(C)(C)O2
InChIInChI=1S/C12H16BrNO/c1-7-4-8-10(14)6-12(2,3)15-11(8)9(13)5-7/h4-5,10H,6,14H2,1-3H3
InChIKeyLHKPTVWCVDJUMM-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.32
Rot. Bonds

About 8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine

8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine (PubChem CID 64696649) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine
PubChem CID64696649
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine
SMILESCc1cc(Br)c2c(c1)C(N)CC(C)(C)O2
InChIInChI=1S/C12H16BrNO/c1-7-4-8-10(14)6-12(2,3)15-11(8)9(13)5-7/h4-5,10H,6,14H2,1-3H3
InChIKeyLHKPTVWCVDJUMM-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine (CID 64696649) is 8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine is Cc1cc(Br)c2c(c1)C(N)CC(C)(C)O2.
What is the InChIKey of 8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is LHKPTVWCVDJUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-7-4-8-10(14)6-12(2,3)15-11(8)9(13)5-7/h4-5,10H,6,14H2,1-3H3.
What are the key properties of 8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine?
8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 270.17 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,2,6-trimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 64696649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).