4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline

C13H13Br2NO — CID 107571841

IUPAC4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline
SMILESCc1cc(NCc2ccc(Br)o2)cc(C)c1Br
InChIInChI=1S/C13H13Br2NO/c1-8-5-10(6-9(2)13(8)15)16-7-11-3-4-12(14)17-11/h3-6,16H,7H2,1-2H3
InChIKeyOKDDYLZAKTWGBN-UHFFFAOYSA-N
MW359.06 g/mol
LogP5.03
Rot. Bonds3

About 4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline

4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline (PubChem CID 107571841) has the molecular formula C13H13Br2NO and a molecular weight of 359.06 g/mol. Its IUPAC name is 4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline
PubChem CID107571841
Molecular FormulaC13H13Br2NO
Molecular Weight359.06 g/mol
Exact Mass356.94
IUPAC Name4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline
SMILESCc1cc(NCc2ccc(Br)o2)cc(C)c1Br
InChIInChI=1S/C13H13Br2NO/c1-8-5-10(6-9(2)13(8)15)16-7-11-3-4-12(14)17-11/h3-6,16H,7H2,1-2H3
InChIKeyOKDDYLZAKTWGBN-UHFFFAOYSA-N
XLogP5.03
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.06
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-bromo-3,5-dimethylanilino)methyl]furan-2-carboxylic acid
CID 107572270
4-[(5-bromofuran-2-yl)methylamino]-2,5-dimethylphenol
CID 106953616
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
N-[(5-bromofuran-2-yl)methyl]-4-propylaniline
CID 28665805
4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline
CID 107572070
N-benzyl-4-bromo-3,5-dimethylaniline
CID 107572244
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
CID 43739581
1-(5-bromofuran-2-yl)-N-methylmethanamine
CID 16787243
N-[4-[(5-bromofuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43725286
N-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline
CID 82819196
4-N-[(5-bromofuran-2-yl)methyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54865355
N-[(5-bromofuran-2-yl)methyl]-3-ethoxyaniline
CID 54865011

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline?
The IUPAC name of 4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline (CID 107571841) is 4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline?
The canonical SMILES for 4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline is Cc1cc(NCc2ccc(Br)o2)cc(C)c1Br.
What is the InChIKey of 4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline?
The InChIKey is OKDDYLZAKTWGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO/c1-8-5-10(6-9(2)13(8)15)16-7-11-3-4-12(14)17-11/h3-6,16H,7H2,1-2H3.
What are the key properties of 4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline?
4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline has a molecular weight of 359.06 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline is sourced from PubChem (CID 107571841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).