2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline

C11H9Br2NO — CID 103880716

IUPAC2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline
SMILESBrc1ccccc1NCc1occc1Br
InChIInChI=1S/C11H9Br2NO/c12-8-3-1-2-4-10(8)14-7-11-9(13)5-6-15-11/h1-6,14H,7H2
InChIKeyDACYWCKGZDPVJX-UHFFFAOYSA-N
MW331.01 g/mol
LogP4.42
Rot. Bonds3

About 2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline

2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline (PubChem CID 103880716) has the molecular formula C11H9Br2NO and a molecular weight of 331.01 g/mol. Its IUPAC name is 2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline
PubChem CID103880716
Molecular FormulaC11H9Br2NO
Molecular Weight331.01 g/mol
Exact Mass328.91
IUPAC Name2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline
SMILESBrc1ccccc1NCc1occc1Br
InChIInChI=1S/C11H9Br2NO/c12-8-3-1-2-4-10(8)14-7-11-9(13)5-6-15-11/h1-6,14H,7H2
InChIKeyDACYWCKGZDPVJX-UHFFFAOYSA-N
XLogP4.42
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.01
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3-bromofuran-2-yl)methylamino]phenyl]methanol
CID 103818101
N-[(3-bromofuran-2-yl)methyl]-2-nitroaniline
CID 106885203
N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethylsulfanyl)aniline
CID 106885053
N-[(3-bromofuran-2-yl)methyl]isoquinolin-8-amine
CID 113268291
N-[(3-bromofuran-2-yl)methyl]-2-(triazol-1-yl)aniline
CID 106885128
N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline
CID 103818073
N-[(3-bromofuran-2-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 106885249
4-[(3-bromofuran-2-yl)methylamino]phenol
CID 102809769
N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 106885045
1-N-[(3-bromofuran-2-yl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 103817730
N-[(3-bromofuran-2-yl)methyl]-6-chloro-1,3-benzodioxol-5-amine
CID 113344577
N-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(trifluoromethyl)aniline
CID 106885189

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline?
The IUPAC name of 2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline (CID 103880716) is 2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline?
The canonical SMILES for 2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline is Brc1ccccc1NCc1occc1Br.
What is the InChIKey of 2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline?
The InChIKey is DACYWCKGZDPVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NO/c12-8-3-1-2-4-10(8)14-7-11-9(13)5-6-15-11/h1-6,14H,7H2.
What are the key properties of 2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline?
2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline has a molecular weight of 331.01 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline is sourced from PubChem (CID 103880716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).