(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine

C12H14BrNO — CID 104947533

IUPAC(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(C2CC2)Oc2ccc(Br)cc21
InChIInChI=1S/C12H14BrNO/c13-8-3-4-11-9(5-8)10(14)6-12(15-11)7-1-2-7/h3-5,7,10,12H,1-2,6,14H2/t10-,12?/m1/s1
InChIKeyXSRUFBAENXPBQE-RWANSRKNSA-N
MW268.15 g/mol
LogP3.01
Rot. Bonds1

About (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine

(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947533) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947533
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(C2CC2)Oc2ccc(Br)cc21
InChIInChI=1S/C12H14BrNO/c13-8-3-4-11-9(5-8)10(14)6-12(15-11)7-1-2-7/h3-5,7,10,12H,1-2,6,14H2/t10-,12?/m1/s1
InChIKeyXSRUFBAENXPBQE-RWANSRKNSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine (CID 104947533) is (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(C2CC2)Oc2ccc(Br)cc21.
What is the InChIKey of (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XSRUFBAENXPBQE-RWANSRKNSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-8-3-4-11-9(5-8)10(14)6-12(15-11)7-1-2-7/h3-5,7,10,12H,1-2,6,14H2/t10-,12?/m1/s1.
What are the key properties of (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 268.15 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).