(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine

C10H12BrNO2 — CID 103693937

IUPAC(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cc(Br)c2c(c1)[C@H](N)CCO2
InChIInChI=1S/C10H12BrNO2/c1-13-6-4-7-9(12)2-3-14-10(7)8(11)5-6/h4-5,9H,2-3,12H2,1H3/t9-/m1/s1
InChIKeyDOXLTWHUWLPOQS-SECBINFHSA-N
MW258.11 g/mol
LogP2.24
Rot. Bonds1

About (4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine

(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103693937) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is (4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID103693937
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cc(Br)c2c(c1)[C@H](N)CCO2
InChIInChI=1S/C10H12BrNO2/c1-13-6-4-7-9(12)2-3-14-10(7)8(11)5-6/h4-5,9H,2-3,12H2,1H3/t9-/m1/s1
InChIKeyDOXLTWHUWLPOQS-SECBINFHSA-N
XLogP2.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 103693937) is (4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1cc(Br)c2c(c1)[C@H](N)CCO2.
What is the InChIKey of (4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DOXLTWHUWLPOQS-SECBINFHSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-13-6-4-7-9(12)2-3-14-10(7)8(11)5-6/h4-5,9H,2-3,12H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 258.11 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103693937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).