(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine

C14H13BrClNO2S — CID 102846101

IUPAC(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(c1cc(Br)c(Cl)s1)C[C@H]2N
InChIInChI=1S/C14H13BrClNO2S/c1-18-7-2-3-8-10(17)6-12(19-11(8)4-7)13-5-9(15)14(16)20-13/h2-5,10,12H,6,17H2,1H3/t10-,12?/m1/s1
InChIKeyBYIRIUWUBBTGRR-RWANSRKNSA-N
MW374.69 g/mol
LogP4.70
Rot. Bonds2

About (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine

(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 102846101) has the molecular formula C14H13BrClNO2S and a molecular weight of 374.69 g/mol. Its IUPAC name is (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID102846101
Molecular FormulaC14H13BrClNO2S
Molecular Weight374.69 g/mol
Exact Mass372.95
IUPAC Name(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(c1cc(Br)c(Cl)s1)C[C@H]2N
InChIInChI=1S/C14H13BrClNO2S/c1-18-7-2-3-8-10(17)6-12(19-11(8)4-7)13-5-9(15)14(16)20-13/h2-5,10,12H,6,17H2,1H3/t10-,12?/m1/s1
InChIKeyBYIRIUWUBBTGRR-RWANSRKNSA-N
XLogP4.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine with MolForge

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Related Compounds

(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944590
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 102846024
2-(4-bromo-5-methylthiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 102846073
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 102846110
2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846153
(4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944586
2-(4-bromo-5-methylthiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 102845963
(4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946930
(4R)-2-(3-bromo-4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944739
(4R)-2-(5-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104980319
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114708873

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 102846101) is (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)OC(c1cc(Br)c(Cl)s1)C[C@H]2N.
What is the InChIKey of (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BYIRIUWUBBTGRR-RWANSRKNSA-N. The full InChI is InChI=1S/C14H13BrClNO2S/c1-18-7-2-3-8-10(17)6-12(19-11(8)4-7)13-5-9(15)14(16)20-13/h2-5,10,12H,6,17H2,1H3/t10-,12?/m1/s1.
What are the key properties of (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 374.69 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 102846101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).