2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine

C15H15BrClNO2S — CID 102846153

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cc(Br)c(Cl)s2)Oc2ccc(OC)cc21
InChIInChI=1S/C15H15BrClNO2S/c1-18-11-7-13(14-6-10(16)15(17)21-14)20-12-4-3-8(19-2)5-9(11)12/h3-6,11,13,18H,7H2,1-2H3
InChIKeyOTDUGTHUGDPVPU-UHFFFAOYSA-N
MW388.71 g/mol
LogP4.96
Rot. Bonds3

About 2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine

2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 102846153) has the molecular formula C15H15BrClNO2S and a molecular weight of 388.71 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID102846153
Molecular FormulaC15H15BrClNO2S
Molecular Weight388.71 g/mol
Exact Mass386.97
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cc(Br)c(Cl)s2)Oc2ccc(OC)cc21
InChIInChI=1S/C15H15BrClNO2S/c1-18-11-7-13(14-6-10(16)15(17)21-14)20-12-4-3-8(19-2)5-9(11)12/h3-6,11,13,18H,7H2,1-2H3
InChIKeyOTDUGTHUGDPVPU-UHFFFAOYSA-N
XLogP4.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.71
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine with MolForge

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Related Compounds

6-bromo-2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846162
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 102846024
2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846174
2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712980
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 102846101
2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 102846139
2-(4-bromo-5-methylthiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 102846073
(4S)-2-(5-bromothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950840
(4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845999
2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845967
2-cyclopropyl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712990
6-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712931

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 102846153) is 2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2cc(Br)c(Cl)s2)Oc2ccc(OC)cc21.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OTDUGTHUGDPVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2S/c1-18-11-7-13(14-6-10(16)15(17)21-14)20-12-4-3-8(19-2)5-9(11)12/h3-6,11,13,18H,7H2,1-2H3.
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 388.71 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 102846153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).