3-bromo-N-(2,6-dimethylphenyl)-N-(2-methylpropanimidoyl)benzenecarboximidamide

C19H22BrN3 — CID 134550788

IUPAC3-bromo-N-(2,6-dimethylphenyl)-N-(2-methylpropanimidoyl)benzenecarboximidamide
SMILES[H]/N=C(\c1cccc(Br)c1)N(/C(=N/[H])C(C)C)c1c(C)cccc1C
InChIInChI=1S/C19H22BrN3/c1-12(2)18(21)23(17-13(3)7-5-8-14(17)4)19(22)15-9-6-10-16(20)11-15/h5-12,21-22H,1-4H3/b21-18+,22-19+
InChIKeyAKMIHHTVRHZXKG-MGJZZARISA-N
MW372.31 g/mol
LogP5.53
Rot. Bonds3

About 3-bromo-N-(2,6-dimethylphenyl)-N-(2-methylpropanimidoyl)benzenecarboximidamide

3-bromo-N-(2,6-dimethylphenyl)-N-(2-methylpropanimidoyl)benzenecarboximidamide (PubChem CID 134550788) has the molecular formula C19H22BrN3 and a molecular weight of 372.31 g/mol. Its IUPAC name is 3-bromo-N-(2,6-dimethylphenyl)-N-(2-methylpropanimidoyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-N-(2,6-dimethylphenyl)-N-(2-methylpropanimidoyl)benzenecarboximidamide
PubChem CID134550788
Molecular FormulaC19H22BrN3
Molecular Weight372.31 g/mol
Exact Mass371.10
IUPAC Name3-bromo-N-(2,6-dimethylphenyl)-N-(2-methylpropanimidoyl)benzenecarboximidamide
SMILES[H]/N=C(\c1cccc(Br)c1)N(/C(=N/[H])C(C)C)c1c(C)cccc1C
InChIInChI=1S/C19H22BrN3/c1-12(2)18(21)23(17-13(3)7-5-8-14(17)4)19(22)15-9-6-10-16(20)11-15/h5-12,21-22H,1-4H3/b21-18+,22-19+
InChIKeyAKMIHHTVRHZXKG-MGJZZARISA-N
XLogP5.53
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.31
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-N-(2,6-dimethylphenyl)-N-(2-methylpropanimidoyl)benzenecarboximidamide 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

N-(3-bromobenzenecarboximidoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-methylbenzenecarboximidamide
CID 145257750
(3-bromophenyl)-(4-methoxy-3-methylphenyl)methanimine
CID 87178024
methanimidoyl 3-bromobenzenecarboximidate
CID 126634073
1-[[2,3-bis[bis(3-bromophenyl)methylidene]cyclopropylidene]-(3-bromophenyl)methyl]-3-bromobenzene
CID 15456668
N,N-diethyl-3-hydroxybenzenecarboximidamide
CID 107922201
1-(3-bromophenyl)-3-methylidenepent-4-en-1-imine
CID 145262246
(3-bromophenyl)-pyrrolidin-1-ylmethanimine
CID 62047755
3-bromo-N'-propan-2-yloxybenzenecarboximidamide
CID 82482830
3-bromo-N'-propan-2-ylbenzenecarboximidamide
CID 62049372
2-benzyl-1-(3-bromophenyl)-3-cyclobutylbutan-1-imine
CID 144906483
1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999791
1-(3-bromophenyl)-2-(4-methoxyphenyl)ethane-1,2-diimine;methanamine
CID 143630982

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,6-dimethylphenyl)-N-(2-methylpropanimidoyl)benzenecarboximidamide?
The IUPAC name of 3-bromo-N-(2,6-dimethylphenyl)-N-(2-methylpropanimidoyl)benzenecarboximidamide (CID 134550788) is 3-bromo-N-(2,6-dimethylphenyl)-N-(2-methylpropanimidoyl)benzenecarboximidamide.
What is the SMILES notation for 3-bromo-N-(2,6-dimethylphenyl)-N-(2-methylpropanimidoyl)benzenecarboximidamide?
The canonical SMILES for 3-bromo-N-(2,6-dimethylphenyl)-N-(2-methylpropanimidoyl)benzenecarboximidamide is [H]/N=C(\c1cccc(Br)c1)N(/C(=N/[H])C(C)C)c1c(C)cccc1C.
What is the InChIKey of 3-bromo-N-(2,6-dimethylphenyl)-N-(2-methylpropanimidoyl)benzenecarboximidamide?
The InChIKey is AKMIHHTVRHZXKG-MGJZZARISA-N. The full InChI is InChI=1S/C19H22BrN3/c1-12(2)18(21)23(17-13(3)7-5-8-14(17)4)19(22)15-9-6-10-16(20)11-15/h5-12,21-22H,1-4H3/b21-18+,22-19+.
What are the key properties of 3-bromo-N-(2,6-dimethylphenyl)-N-(2-methylpropanimidoyl)benzenecarboximidamide?
3-bromo-N-(2,6-dimethylphenyl)-N-(2-methylpropanimidoyl)benzenecarboximidamide has a molecular weight of 372.31 g/mol, XLogP of 5.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,6-dimethylphenyl)-N-(2-methylpropanimidoyl)benzenecarboximidamide is sourced from PubChem (CID 134550788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).