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

C12H11Br2NOS — CID 61060847

IUPAC5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NCc1ccc(Br)s1
InChIInChI=1S/C12H11Br2NOS/c1-16-11-4-2-8(13)6-10(11)15-7-9-3-5-12(14)17-9/h2-6,15H,7H2,1H3
InChIKeyOWYWWVNVKQJQJA-UHFFFAOYSA-N
MW377.10 g/mol
LogP4.89
Rot. Bonds4

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

5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline (PubChem CID 61060847) has the molecular formula C12H11Br2NOS and a molecular weight of 377.10 g/mol. Its IUPAC name is 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline
PubChem CID61060847
Molecular FormulaC12H11Br2NOS
Molecular Weight377.10 g/mol
Exact Mass374.89
IUPAC Name5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NCc1ccc(Br)s1
InChIInChI=1S/C12H11Br2NOS/c1-16-11-4-2-8(13)6-10(11)15-7-9-3-5-12(14)17-9/h2-6,15H,7H2,1H3
InChIKeyOWYWWVNVKQJQJA-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

methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate
CID 82887609
N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide
CID 43715753
N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-5-nitroaniline
CID 43717768
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-bromothiophen-2-yl)methanamine
CID 60743719
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline
CID 61059947
N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
CID 115226503
5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63456234
[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol
CID 64591606
5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 61060558
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 63456231
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61223553

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline?
The IUPAC name of 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline (CID 61060847) is 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline.
What is the SMILES notation for 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline?
The canonical SMILES for 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline is COc1ccc(Br)cc1NCc1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline?
The InChIKey is OWYWWVNVKQJQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NOS/c1-16-11-4-2-8(13)6-10(11)15-7-9-3-5-12(14)17-9/h2-6,15H,7H2,1H3.
What are the key properties of 5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline?
5-bromo-N-[(5-bromothiophen-2-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-2-yl)methyl]-2-methoxyaniline is sourced from PubChem (CID 61060847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).