2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine

C15H15Br2NOS — CID 102846139

IUPAC2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cc(Br)c(Br)s2)Oc2ccc(C)cc21
InChIInChI=1S/C15H15Br2NOS/c1-8-3-4-12-9(5-8)11(18-2)7-13(19-12)14-6-10(16)15(17)20-14/h3-6,11,13,18H,7H2,1-2H3
InChIKeyRTMHLIWMYCMVQL-UHFFFAOYSA-N
MW417.17 g/mol
LogP5.37
Rot. Bonds2

About 2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine

2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 102846139) has the molecular formula C15H15Br2NOS and a molecular weight of 417.17 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID102846139
Molecular FormulaC15H15Br2NOS
Molecular Weight417.17 g/mol
Exact Mass414.92
IUPAC Name2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cc(Br)c(Br)s2)Oc2ccc(C)cc21
InChIInChI=1S/C15H15Br2NOS/c1-8-3-4-12-9(5-8)11(18-2)7-13(19-12)14-6-10(16)15(17)20-14/h3-6,11,13,18H,7H2,1-2H3
InChIKeyRTMHLIWMYCMVQL-UHFFFAOYSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.17
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-(4,5-dibromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 102846013
2-(2-bromophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712518
6-bromo-2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846162
2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712027
2-(2-bromo-4-methylphenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710507
2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712476
2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846153
N,6-dimethyl-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114712466
2-(5-chloro-1,3-thiazol-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 107126245
2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712565
2-(5-bromothiophen-2-yl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710588
2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712486

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine (CID 102846139) is 2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2cc(Br)c(Br)s2)Oc2ccc(C)cc21.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RTMHLIWMYCMVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NOS/c1-8-3-4-12-9(5-8)11(18-2)7-13(19-12)14-6-10(16)15(17)20-14/h3-6,11,13,18H,7H2,1-2H3.
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 417.17 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 102846139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).