(4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine

C15H14BrNO — CID 104946116

IUPAC(4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2ccccc2Br)Oc2ccccc21
InChIInChI=1S/C15H14BrNO/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,13,15H,9,17H2/t13-,15?/m1/s1
InChIKeyFPRIKAMDBBKDBW-AFYYWNPRSA-N
MW304.19 g/mol
LogP3.97
Rot. Bonds1

About (4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946116) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is (4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946116
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name(4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2ccccc2Br)Oc2ccccc21
InChIInChI=1S/C15H14BrNO/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,13,15H,9,17H2/t13-,15?/m1/s1
InChIKeyFPRIKAMDBBKDBW-AFYYWNPRSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104946116) is (4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(c2ccccc2Br)Oc2ccccc21.
What is the InChIKey of (4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FPRIKAMDBBKDBW-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,13,15H,9,17H2/t13-,15?/m1/s1.
What are the key properties of (4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 304.19 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).