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

C10H12BrNO — CID 43512619

IUPAC6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C10H12BrNO/c1-12-9-4-5-13-10-3-2-7(11)6-8(9)10/h2-3,6,9,12H,4-5H2,1H3
InChIKeyCDYBISOIWYTNHD-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.49
Rot. Bonds1

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

6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43512619) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43512619
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C10H12BrNO/c1-12-9-4-5-13-10-3-2-7(11)6-8(9)10/h2-3,6,9,12H,4-5H2,1H3
InChIKeyCDYBISOIWYTNHD-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 43512619) is 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CCOc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is CDYBISOIWYTNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-12-9-4-5-13-10-3-2-7(11)6-8(9)10/h2-3,6,9,12H,4-5H2,1H3.
What are the key properties of 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 242.12 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43512619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).