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

C14H16Br2N2O — CID 62085887

IUPAC4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCc2cc(Br)c(Br)o2)cc1
InChIInChI=1S/C14H16Br2N2O/c1-18(2)11-5-3-10(4-6-11)8-17-9-12-7-13(15)14(16)19-12/h3-7,17H,8-9H2,1-2H3
InChIKeyUQHZJRIEYFDGPY-UHFFFAOYSA-N
MW388.10 g/mol
LogP4.16
Rot. Bonds5

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

4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline (PubChem CID 62085887) has the molecular formula C14H16Br2N2O and a molecular weight of 388.10 g/mol. Its IUPAC name is 4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline
PubChem CID62085887
Molecular FormulaC14H16Br2N2O
Molecular Weight388.10 g/mol
Exact Mass385.96
IUPAC Name4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCc2cc(Br)c(Br)o2)cc1
InChIInChI=1S/C14H16Br2N2O/c1-18(2)11-5-3-10(4-6-11)8-17-9-12-7-13(15)14(16)19-12/h3-7,17H,8-9H2,1-2H3
InChIKeyUQHZJRIEYFDGPY-UHFFFAOYSA-N
XLogP4.16
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.10
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[[(3-bromo-4-methylphenyl)methylamino]methyl]-N,N-dimethylaniline
CID 115875937
4-[[(2-bromophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 28679649
1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105414898
N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 62989679
4-[[(4-bromo-2-chlorophenyl)methylamino]methyl]-N,N-dimethylaniline
CID 115595283
2-bromo-6-[[[4-(dimethylamino)phenyl]methylamino]methyl]phenol
CID 61390527
N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine
CID 63982243
N-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 62085345
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine
CID 3029601
N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine
CID 115406141
1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106370288
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine;tetrahydrochloride
CID 3029600

Frequently Asked Questions

What is the IUPAC name of 4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline (CID 62085887) is 4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline is CN(C)c1ccc(CNCc2cc(Br)c(Br)o2)cc1.
What is the InChIKey of 4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline?
The InChIKey is UQHZJRIEYFDGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O/c1-18(2)11-5-3-10(4-6-11)8-17-9-12-7-13(15)14(16)19-12/h3-7,17H,8-9H2,1-2H3.
What are the key properties of 4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline?
4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline has a molecular weight of 388.10 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 62085887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).