4-bromo-N-methoxy-N-methyl-N'-(methylideneamino)benzenecarboximidamide

C10H12BrN3O — CID 155373694

IUPAC4-bromo-N-methoxy-N-methyl-N'-(methylideneamino)benzenecarboximidamide
SMILESC=N/N=C(/c1ccc(Br)cc1)N(C)OC
InChIInChI=1S/C10H12BrN3O/c1-12-13-10(14(2)15-3)8-4-6-9(11)7-5-8/h4-7H,1H2,2-3H3/b13-10-
InChIKeyVOUMTUNEPOFUNV-RAXLEYEMSA-N
MW270.13 g/mol
LogP2.30
Rot. Bonds3

About 4-bromo-N-methoxy-N-methyl-N'-(methylideneamino)benzenecarboximidamide

4-bromo-N-methoxy-N-methyl-N'-(methylideneamino)benzenecarboximidamide (PubChem CID 155373694) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 4-bromo-N-methoxy-N-methyl-N'-(methylideneamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N-methoxy-N-methyl-N'-(methylideneamino)benzenecarboximidamide
PubChem CID155373694
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name4-bromo-N-methoxy-N-methyl-N'-(methylideneamino)benzenecarboximidamide
SMILESC=N/N=C(/c1ccc(Br)cc1)N(C)OC
InChIInChI=1S/C10H12BrN3O/c1-12-13-10(14(2)15-3)8-4-6-9(11)7-5-8/h4-7H,1H2,2-3H3/b13-10-
InChIKeyVOUMTUNEPOFUNV-RAXLEYEMSA-N
XLogP2.30
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N'-methylbenzimidamide-N'-oxide
CID 129766788
3-(4-Bromophenyl)-4,6-dimethyl-5,6-dihydro-4H-[1,2,4,5]oxatriazine
CID 551556
4-bromo-N'-ethoxybenzenecarboximidamide
CID 21037685
4-bromo-N'-methoxybenzenecarboximidamide
CID 22042249
3-(4-Bromophenyl)-4-methyl-1,2,4-oxadiazol-5(4H)-one
CID 28693396
(NE)-N-[(4-bromophenyl)-(4-ethylpiperazin-1-yl)methylidene]hydroxylamine
CID 58041842
(NE)-N-[(4-bromophenyl)-(4-methylpiperazin-1-yl)methylidene]hydroxylamine
CID 58053624
(NZ)-N-[(4-bromophenyl)-(4-methylpiperazin-1-yl)methylidene]hydroxylamine
CID 58054074
4-bromo-N'-hydroxy-N-methyl-N-propylbenzenecarboximidamide
CID 58523310
N-amino-4-bromo-N-methylbenzenecarboximidamide;hydrochloride
CID 68638952
N-amino-4-bromo-N-methylbenzenecarboximidamide
CID 68638953
5-(4-bromophenyl)-2,4-dimethyl-3H-1,2,4-triazole
CID 70267849

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methoxy-N-methyl-N'-(methylideneamino)benzenecarboximidamide?
The IUPAC name of 4-bromo-N-methoxy-N-methyl-N'-(methylideneamino)benzenecarboximidamide (CID 155373694) is 4-bromo-N-methoxy-N-methyl-N'-(methylideneamino)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-N-methoxy-N-methyl-N'-(methylideneamino)benzenecarboximidamide?
The canonical SMILES for 4-bromo-N-methoxy-N-methyl-N'-(methylideneamino)benzenecarboximidamide is C=N/N=C(/c1ccc(Br)cc1)N(C)OC.
What is the InChIKey of 4-bromo-N-methoxy-N-methyl-N'-(methylideneamino)benzenecarboximidamide?
The InChIKey is VOUMTUNEPOFUNV-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-12-13-10(14(2)15-3)8-4-6-9(11)7-5-8/h4-7H,1H2,2-3H3/b13-10-.
What are the key properties of 4-bromo-N-methoxy-N-methyl-N'-(methylideneamino)benzenecarboximidamide?
4-bromo-N-methoxy-N-methyl-N'-(methylideneamino)benzenecarboximidamide has a molecular weight of 270.13 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methoxy-N-methyl-N'-(methylideneamino)benzenecarboximidamide is sourced from PubChem (CID 155373694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).