4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine

C13H15BrN2O — CID 65343166

IUPAC4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
SMILESCc1ccc(CN(C)c2cc(Br)ccc2N)o1
InChIInChI=1S/C13H15BrN2O/c1-9-3-5-11(17-9)8-16(2)13-7-10(14)4-6-12(13)15/h3-7H,8,15H2,1-2H3
InChIKeyAPHLSRIWFHZGCC-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.57
Rot. Bonds3

About 4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine

4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine (PubChem CID 65343166) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
PubChem CID65343166
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
SMILESCc1ccc(CN(C)c2cc(Br)ccc2N)o1
InChIInChI=1S/C13H15BrN2O/c1-9-3-5-11(17-9)8-16(2)13-7-10(14)4-6-12(13)15/h3-7H,8,15H2,1-2H3
InChIKeyAPHLSRIWFHZGCC-UHFFFAOYSA-N
XLogP3.57
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
CID 43526378
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzonitrile
CID 104711530
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide
CID 63355837
4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 65343114
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 107532166
4-bromo-2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 65342722
4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine
CID 65341463
3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
CID 43526133
1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 115598217
1-(4-bromo-2-fluorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60646293
5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
CID 79899789
5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine
CID 117038923

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine (CID 65343166) is 4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine is Cc1ccc(CN(C)c2cc(Br)ccc2N)o1.
What is the InChIKey of 4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine?
The InChIKey is APHLSRIWFHZGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9-3-5-11(17-9)8-16(2)13-7-10(14)4-6-12(13)15/h3-7H,8,15H2,1-2H3.
What are the key properties of 4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine?
4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine has a molecular weight of 295.18 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 65343166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).