7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine

C15H15Br2NOS — CID 114711788

IUPAC7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2sccc2Br)Oc2cc(Br)ccc21
InChIInChI=1S/C15H15Br2NOS/c1-2-18-12-8-14(15-11(17)5-6-20-15)19-13-7-9(16)3-4-10(12)13/h3-7,12,14,18H,2,8H2,1H3
InChIKeyZFBHTUAQGKIWNM-UHFFFAOYSA-N
MW417.17 g/mol
LogP5.45
Rot. Bonds3

About 7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine

7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711788) has the molecular formula C15H15Br2NOS and a molecular weight of 417.17 g/mol. Its IUPAC name is 7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711788
Molecular FormulaC15H15Br2NOS
Molecular Weight417.17 g/mol
Exact Mass414.92
IUPAC Name7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2sccc2Br)Oc2cc(Br)ccc21
InChIInChI=1S/C15H15Br2NOS/c1-2-18-12-8-14(15-11(17)5-6-20-15)19-13-7-9(16)3-4-10(12)13/h3-7,12,14,18H,2,8H2,1H3
InChIKeyZFBHTUAQGKIWNM-UHFFFAOYSA-N
XLogP5.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.17
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712260
7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711759
7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114711830
2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712293
7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711885
(4S)-6-bromo-2-(3-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951117
6-bromo-N-ethyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713461
(4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945595
2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711217
6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114713337
6-bromo-2-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713455
6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713398

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine (CID 114711788) is 7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2sccc2Br)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZFBHTUAQGKIWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NOS/c1-2-18-12-8-14(15-11(17)5-6-20-15)19-13-7-9(16)3-4-10(12)13/h3-7,12,14,18H,2,8H2,1H3.
What are the key properties of 7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 417.17 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).