3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide

C15H16BrN3O — CID 82799311

IUPAC3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)c2ccc(OC)cc2)c(Br)c1
InChIInChI=1S/C15H16BrN3O/c1-19(11-4-6-12(20-2)7-5-11)14-8-3-10(15(17)18)9-13(14)16/h3-9H,1-2H3,(H3,17,18)
InChIKeyPCZDXTTWMOLZAV-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.51
Rot. Bonds4

About 3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide

3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide (PubChem CID 82799311) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
PubChem CID82799311
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)c2ccc(OC)cc2)c(Br)c1
InChIInChI=1S/C15H16BrN3O/c1-19(11-4-6-12(20-2)7-5-11)14-8-3-10(15(17)18)9-13(14)16/h3-9H,1-2H3,(H3,17,18)
InChIKeyPCZDXTTWMOLZAV-UHFFFAOYSA-N
XLogP3.51
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxynaphthalene-2-carboximidamide
CID 3274917
4-[bis(2-methoxyethyl)amino]-3-bromobenzenecarboximidamide
CID 82799955
3-bromo-4-[2,2-dimethylpropyl(methyl)amino]benzenecarboximidamide
CID 82800268
3-bromo-4-[3,3-dimethylbutan-2-yl(methyl)amino]benzenecarboximidamide
CID 82798993
4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684
3-chloro-4-[(4-methoxy-N-methylanilino)methyl]benzenecarboximidamide
CID 102667882
3-bromo-4-(N-ethyl-4-fluoroanilino)benzenecarboximidamide
CID 82798791
3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide
CID 82799441
3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657260
3-bromo-4-[cyclopentylmethyl(methyl)amino]benzenecarboximidamide
CID 82799214
6,7-dibromonaphthalene-2-carboximidamide
CID 121232083
3-bromo-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide
CID 82799753

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide?
The IUPAC name of 3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide (CID 82799311) is 3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide?
The canonical SMILES for 3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)c2ccc(OC)cc2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide?
The InChIKey is PCZDXTTWMOLZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-19(11-4-6-12(20-2)7-5-11)14-8-3-10(15(17)18)9-13(14)16/h3-9H,1-2H3,(H3,17,18).
What are the key properties of 3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide?
3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide has a molecular weight of 334.22 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide is sourced from PubChem (CID 82799311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).