6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine

C15H12Br2ClNO — CID 114709986

IUPAC6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2cc(Cl)ccc2Br)Oc2ccc(Br)cc21
InChIInChI=1S/C15H12Br2ClNO/c16-8-1-4-14-11(5-8)13(19)7-15(20-14)10-6-9(18)2-3-12(10)17/h1-6,13,15H,7,19H2
InChIKeyLNVWLULCHGAFAB-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.39
Rot. Bonds1

About 6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine

6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709986) has the molecular formula C15H12Br2ClNO and a molecular weight of 417.53 g/mol. Its IUPAC name is 6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709986
Molecular FormulaC15H12Br2ClNO
Molecular Weight417.53 g/mol
Exact Mass414.90
IUPAC Name6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2cc(Cl)ccc2Br)Oc2ccc(Br)cc21
InChIInChI=1S/C15H12Br2ClNO/c16-8-1-4-14-11(5-8)13(19)7-15(20-14)10-6-9(18)2-3-12(10)17/h1-6,13,15H,7,19H2
InChIKeyLNVWLULCHGAFAB-UHFFFAOYSA-N
XLogP5.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946067
(4R)-6-bromo-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947405
2-(4-bromo-3-methylphenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708916
(4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947442
(4R)-2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104944930
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708908
(4R)-6-chloro-2-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104980323
(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947173
6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 112739916
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 102846110
(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945093
(4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946930

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 114709986) is 6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine is NC1CC(c2cc(Cl)ccc2Br)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LNVWLULCHGAFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClNO/c16-8-1-4-14-11(5-8)13(19)7-15(20-14)10-6-9(18)2-3-12(10)17/h1-6,13,15H,7,19H2.
What are the key properties of 6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 417.53 g/mol, XLogP of 5.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).