8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine

C10H11BrClNO — CID 43512571

IUPAC8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2c(Br)cc(Cl)cc21
InChIInChI=1S/C10H11BrClNO/c1-13-9-2-3-14-10-7(9)4-6(12)5-8(10)11/h4-5,9,13H,2-3H2,1H3
InChIKeyXUYZRCTXPIMNTH-UHFFFAOYSA-N
MW276.56 g/mol
LogP3.15
Rot. Bonds1

About 8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine

8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43512571) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43512571
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2c(Br)cc(Cl)cc21
InChIInChI=1S/C10H11BrClNO/c1-13-9-2-3-14-10-7(9)4-6(12)5-8(10)11/h4-5,9,13H,2-3H2,1H3
InChIKeyXUYZRCTXPIMNTH-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-dibromo-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64719069
8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 60970601
8-bromo-6-chloro-N,2-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43537253
9-bromo-7-chloro-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512564
7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 130820671
9-bromo-7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512582
6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43769266
6,8-dichloro-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43755657
6,8-dichloro-N-cyclopent-3-en-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 115728526
6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461683
7-bromo-5-methoxy-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 104831059
8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-3-amine
CID 53249807

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 43512571) is 8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CCOc2c(Br)cc(Cl)cc21.
What is the InChIKey of 8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XUYZRCTXPIMNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-13-9-2-3-14-10-7(9)4-6(12)5-8(10)11/h4-5,9,13H,2-3H2,1H3.
What are the key properties of 8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 276.56 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43512571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).