5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline

C12H11Br2NOS — CID 61059947

IUPAC5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NCc1csc(Br)c1
InChIInChI=1S/C12H11Br2NOS/c1-16-11-3-2-9(13)5-10(11)15-6-8-4-12(14)17-7-8/h2-5,7,15H,6H2,1H3
InChIKeyLQIOYEYIBOQDSW-UHFFFAOYSA-N
MW377.10 g/mol
LogP4.89
Rot. Bonds4

About 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline

5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline (PubChem CID 61059947) has the molecular formula C12H11Br2NOS and a molecular weight of 377.10 g/mol. Its IUPAC name is 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline
PubChem CID61059947
Molecular FormulaC12H11Br2NOS
Molecular Weight377.10 g/mol
Exact Mass374.89
IUPAC Name5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NCc1csc(Br)c1
InChIInChI=1S/C12H11Br2NOS/c1-16-11-3-2-9(13)5-10(11)15-6-8-4-12(14)17-7-8/h2-5,7,15H,6H2,1H3
InChIKeyLQIOYEYIBOQDSW-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.10
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-5-tert-butyl-2-methoxyaniline
CID 43681233
3-[(5-bromothiophen-3-yl)methylamino]-4-methoxybenzoic acid
CID 63742453
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline
CID 61060847
4-[(5-bromo-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61059476
5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63456234
5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline
CID 61060250
5-[(5-bromo-2-methoxyanilino)methyl]-2-methoxybenzonitrile
CID 65341007
5-bromo-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxyaniline
CID 62122161
5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61223553
N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
CID 115226503
4-[(5-bromo-2-methoxyanilino)methyl]benzamide
CID 61059474
5-bromo-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 54968048

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline?
The IUPAC name of 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline (CID 61059947) is 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline.
What is the SMILES notation for 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline?
The canonical SMILES for 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline is COc1ccc(Br)cc1NCc1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline?
The InChIKey is LQIOYEYIBOQDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NOS/c1-16-11-3-2-9(13)5-10(11)15-6-8-4-12(14)17-7-8/h2-5,7,15H,6H2,1H3.
What are the key properties of 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline?
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline has a molecular weight of 377.10 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline is sourced from PubChem (CID 61059947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).