2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine

C14H13BrClNOS — CID 114711217

IUPAC2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2sccc2Br)Oc2ccc(Cl)cc21
InChIInChI=1S/C14H13BrClNOS/c1-17-11-7-13(14-10(15)4-5-19-14)18-12-3-2-8(16)6-9(11)12/h2-6,11,13,17H,7H2,1H3
InChIKeyUWBAAWPIWGUARZ-UHFFFAOYSA-N
MW358.69 g/mol
LogP4.95
Rot. Bonds2

About 2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine

2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711217) has the molecular formula C14H13BrClNOS and a molecular weight of 358.69 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711217
Molecular FormulaC14H13BrClNOS
Molecular Weight358.69 g/mol
Exact Mass356.96
IUPAC Name2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2sccc2Br)Oc2ccc(Cl)cc21
InChIInChI=1S/C14H13BrClNOS/c1-17-11-7-13(14-10(15)4-5-19-14)18-12-3-2-8(16)6-9(11)12/h2-6,11,13,17H,7H2,1H3
InChIKeyUWBAAWPIWGUARZ-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.69
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712476
2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711144
6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711117
6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711207
7-bromo-2-(2-bromo-4-chlorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711700
2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712260
6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711272
6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711145
6-bromo-2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846162
(4S)-6-bromo-2-(3-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951117
7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114711788
2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846153

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114711217) is 2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2sccc2Br)Oc2ccc(Cl)cc21.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is UWBAAWPIWGUARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNOS/c1-17-11-7-13(14-10(15)4-5-19-14)18-12-3-2-8(16)6-9(11)12/h2-6,11,13,17H,7H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 358.69 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).