(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine

C15H13Br2NO — CID 104947173

IUPAC(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2ccc(Br)cc2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H13Br2NO/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-7,13,15H,8,18H2/t13-,15?/m0/s1
InChIKeyYKWFOSLIUYXDIO-CFMCSPIPSA-N
MW383.08 g/mol
LogP4.74
Rot. Bonds1

About (4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine

(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947173) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is (4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947173
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2ccc(Br)cc2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H13Br2NO/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-7,13,15H,8,18H2/t13-,15?/m0/s1
InChIKeyYKWFOSLIUYXDIO-CFMCSPIPSA-N
XLogP4.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.08
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947434
(4R)-6-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947539
(4S)-6-bromo-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947237
6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 106534741
(4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947352
(4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947442
(4R)-6-bromo-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947405
3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 104947542
(4R)-6-bromo-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947501
(4R)-7-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945558
6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 112739916
(4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947544

Frequently Asked Questions

What is the IUPAC name of (4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104947173) is (4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine is N[C@H]1CC(c2ccc(Br)cc2)Oc2ccc(Br)cc21.
What is the InChIKey of (4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YKWFOSLIUYXDIO-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H13Br2NO/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-7,13,15H,8,18H2/t13-,15?/m0/s1.
What are the key properties of (4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 383.08 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).