1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine

C14H11Br2NS2 — CID 107968843

IUPAC1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)sc1Br)c1cccc2ccsc12
InChIInChI=1S/C14H11Br2NS2/c1-17-12(10-7-11(15)19-14(10)16)9-4-2-3-8-5-6-18-13(8)9/h2-7,12,17H,1H3
InChIKeyZJZHSNGKPPYJBM-UHFFFAOYSA-N
MW417.19 g/mol
LogP5.80
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine

1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine (PubChem CID 107968843) has the molecular formula C14H11Br2NS2 and a molecular weight of 417.19 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
PubChem CID107968843
Molecular FormulaC14H11Br2NS2
Molecular Weight417.19 g/mol
Exact Mass414.87
IUPAC Name1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)sc1Br)c1cccc2ccsc12
InChIInChI=1S/C14H11Br2NS2/c1-17-12(10-7-11(15)19-14(10)16)9-4-2-3-8-5-6-18-13(8)9/h2-7,12,17H,1H3
InChIKeyZJZHSNGKPPYJBM-UHFFFAOYSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.19
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 43486963
1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105021764
N-[1-benzothiophen-7-yl-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 105022095
1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 105021929
1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105021830
1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 81153387
1-(1-benzothiophen-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81152982
1-(1-benzothiophen-7-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 81154346
1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 105021845
1-(1-benzothiophen-7-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 105021870
1-(1-benzothiophen-7-yl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105172720
1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 81300650

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine (CID 107968843) is 1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine is CNC(c1cc(Br)sc1Br)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine?
The InChIKey is ZJZHSNGKPPYJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NS2/c1-17-12(10-7-11(15)19-14(10)16)9-4-2-3-8-5-6-18-13(8)9/h2-7,12,17H,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine?
1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine has a molecular weight of 417.19 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 107968843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).