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

C10H11BrClNO — CID 53249807

IUPAC8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-3-amine
SMILESCNC1COc2c(Br)cc(Cl)cc2C1
InChIInChI=1S/C10H11BrClNO/c1-13-8-3-6-2-7(12)4-9(11)10(6)14-5-8/h2,4,8,13H,3,5H2,1H3
InChIKeyNXDKMWPYEGPPRI-UHFFFAOYSA-N
MW276.56 g/mol
LogP2.63
Rot. Bonds1

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

8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 53249807) 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-3-amine.

Molecular Properties

Compound Name8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID53249807
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-3-amine
SMILESCNC1COc2c(Br)cc(Cl)cc2C1
InChIInChI=1S/C10H11BrClNO/c1-13-8-3-6-2-7(12)4-9(11)10(6)14-5-8/h2,4,8,13H,3,5H2,1H3
InChIKeyNXDKMWPYEGPPRI-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-3-amine (CID 53249807) is 8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-3-amine is CNC1COc2c(Br)cc(Cl)cc2C1.
What is the InChIKey of 8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is NXDKMWPYEGPPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-13-8-3-6-2-7(12)4-9(11)10(6)14-5-8/h2,4,8,13H,3,5H2,1H3.
What are the key properties of 8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-3-amine?
8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 276.56 g/mol, XLogP of 2.63, 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-3-amine is sourced from PubChem (CID 53249807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).