N-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline

C12H11Br2NO — CID 62084803

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2cc(Br)c(Br)o2)cc1
InChIInChI=1S/C12H11Br2NO/c1-8-2-4-9(5-3-8)15-7-10-6-11(13)12(14)16-10/h2-6,15H,7H2,1H3
InChIKeyNBGHUUKFJAYAJI-UHFFFAOYSA-N
MW345.03 g/mol
LogP4.73
Rot. Bonds3

About N-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline

N-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline (PubChem CID 62084803) has the molecular formula C12H11Br2NO and a molecular weight of 345.03 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline
PubChem CID62084803
Molecular FormulaC12H11Br2NO
Molecular Weight345.03 g/mol
Exact Mass342.92
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2cc(Br)c(Br)o2)cc1
InChIInChI=1S/C12H11Br2NO/c1-8-2-4-9(5-3-8)15-7-10-6-11(13)12(14)16-10/h2-6,15H,7H2,1H3
InChIKeyNBGHUUKFJAYAJI-UHFFFAOYSA-N
XLogP4.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.03
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline
CID 62086062
4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline
CID 155533033
N-[(4,5-dibromofuran-2-yl)methyl]-3-methyl-4-nitroaniline
CID 55032311
N-[(4,5-dibromofuran-2-yl)methyl]-4-(difluoromethylsulfanyl)aniline
CID 62086078
N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine
CID 62084324
N-[(4,5-dibromofuran-2-yl)methyl]-5-methyl-2-nitroaniline
CID 112557580
2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide
CID 62083592
N-[(4,5-dibromofuran-2-yl)methyl]-1,3-benzothiazol-6-amine
CID 107804067
3-bromo-N-[(4,5-dibromofuran-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 107336097
N-[(4,5-dibromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline
CID 82819033
N-[(4,5-dibromofuran-2-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79100599
tert-butyl N-[5-[(4,5-dibromofuran-2-yl)methylamino]-2-pyridinyl]carbamate
CID 107243072

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline (CID 62084803) is N-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline is Cc1ccc(NCc2cc(Br)c(Br)o2)cc1.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline?
The InChIKey is NBGHUUKFJAYAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO/c1-8-2-4-9(5-3-8)15-7-10-6-11(13)12(14)16-10/h2-6,15H,7H2,1H3.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline?
N-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline has a molecular weight of 345.03 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline is sourced from PubChem (CID 62084803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).