N'-(2-bromo-4,6-dimethylphenyl)-N-phenylethanimidamide

C16H17BrN2 — CID 44552291

IUPACN'-(2-bromo-4,6-dimethylphenyl)-N-phenylethanimidamide
SMILESC/C(=N\c1c(C)cc(C)cc1Br)Nc1ccccc1
InChIInChI=1S/C16H17BrN2/c1-11-9-12(2)16(15(17)10-11)19-13(3)18-14-7-5-4-6-8-14/h4-10H,1-3H3,(H,18,19)
InChIKeyPFOOODUWNSKDCG-UHFFFAOYSA-N
MW317.23 g/mol
LogP5.23
Rot. Bonds2

About N'-(2-bromo-4,6-dimethylphenyl)-N-phenylethanimidamide

N'-(2-bromo-4,6-dimethylphenyl)-N-phenylethanimidamide (PubChem CID 44552291) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is N'-(2-bromo-4,6-dimethylphenyl)-N-phenylethanimidamide.

Molecular Properties

Compound NameN'-(2-bromo-4,6-dimethylphenyl)-N-phenylethanimidamide
PubChem CID44552291
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC NameN'-(2-bromo-4,6-dimethylphenyl)-N-phenylethanimidamide
SMILESC/C(=N\c1c(C)cc(C)cc1Br)Nc1ccccc1
InChIInChI=1S/C16H17BrN2/c1-11-9-12(2)16(15(17)10-11)19-13(3)18-14-7-5-4-6-8-14/h4-10H,1-3H3,(H,18,19)
InChIKeyPFOOODUWNSKDCG-UHFFFAOYSA-N
XLogP5.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.23
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-(4-bromophenyl)-3,4-dihydroquinolin-2-amine
CID 2318144
N,N''-Bis-(4-bromo-2-methyl-phenyl)-acetamidine
CID 15379806
N-(2,4-dimethylphenyl)-N'-[(2,4-dimethylphenyl)iminomethyl]ethanimidamide
CID 57026646
2-[(2-Bromo-4-methylanilino)methyl]-1-(4-fluoro-2-methylphenyl)-1-methylguanidine
CID 57086819
N'-(2-bromophenyl)-N-phenylbenzenecarboximidamide
CID 44552388
N'-benzyl-N-(2-bromophenyl)ethanimidamide
CID 101156880
(Z)-N-mesityl-N'-phenylpivalimidamide
CID 168304741
N-(4-bromophenyl)-3-(4-bromophenyl)imino-5-methylindol-2-amine
CID 177856091
2-(2-Bromo-6-methylphenyl)-1-(2-methylphenyl)guanidine
CID 162345420
5-(3-Bromophenyl)-N-(2,4-dimethylphenyl)-4-methyl-3-isothiazolamine 1,1-dioxide
CID 22512268
2-bromo-N-[(1Z)-3,3,6,7-tetramethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]aniline
CID 1928269
N-[2-(1-Cyclopenten-1-yl)-6-methylphenyl]-N'-phenylethanimidamide
CID 15496320

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-4,6-dimethylphenyl)-N-phenylethanimidamide?
The IUPAC name of N'-(2-bromo-4,6-dimethylphenyl)-N-phenylethanimidamide (CID 44552291) is N'-(2-bromo-4,6-dimethylphenyl)-N-phenylethanimidamide.
What is the SMILES notation for N'-(2-bromo-4,6-dimethylphenyl)-N-phenylethanimidamide?
The canonical SMILES for N'-(2-bromo-4,6-dimethylphenyl)-N-phenylethanimidamide is C/C(=N\c1c(C)cc(C)cc1Br)Nc1ccccc1.
What is the InChIKey of N'-(2-bromo-4,6-dimethylphenyl)-N-phenylethanimidamide?
The InChIKey is PFOOODUWNSKDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-11-9-12(2)16(15(17)10-11)19-13(3)18-14-7-5-4-6-8-14/h4-10H,1-3H3,(H,18,19).
What are the key properties of N'-(2-bromo-4,6-dimethylphenyl)-N-phenylethanimidamide?
N'-(2-bromo-4,6-dimethylphenyl)-N-phenylethanimidamide has a molecular weight of 317.23 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-4,6-dimethylphenyl)-N-phenylethanimidamide is sourced from PubChem (CID 44552291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).