N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

C18H22BrN3 — CID 146197869

IUPACN'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Nc2ccccc2Br)cc1C
InChIInChI=1S/C18H22BrN3/c1-5-22(4)12-20-17-10-14(3)18(11-13(17)2)21-16-9-7-6-8-15(16)19/h6-12,21H,5H2,1-4H3/b20-12+
InChIKeyOXQVKYUYVJZIHS-UDWIEESQSA-N
MW360.30 g/mol
LogP5.42
Rot. Bonds5

About N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 146197869) has the molecular formula C18H22BrN3 and a molecular weight of 360.30 g/mol. Its IUPAC name is N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID146197869
Molecular FormulaC18H22BrN3
Molecular Weight360.30 g/mol
Exact Mass359.10
IUPAC NameN'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Nc2ccccc2Br)cc1C
InChIInChI=1S/C18H22BrN3/c1-5-22(4)12-20-17-10-14(3)18(11-13(17)2)21-16-9-7-6-8-15(16)19/h6-12,21H,5H2,1-4H3/b20-12+
InChIKeyOXQVKYUYVJZIHS-UDWIEESQSA-N
XLogP5.42
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.30
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322874
N'-[4-[4-(difluoromethylsulfanyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322828
N'-[2,5-dimethyl-4-[4-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197813
N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197726
N'-[4-[(4-chlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146381292
N'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322836
N'-[5-chloro-4-(4-methoxyanilino)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197725
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149
N'-[2-chloro-4-(2-fluoro-5-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197712
N'-[4-(3,5-difluoroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197916
N'-[4-(4-bromo-3-iodophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 68589913
N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 139558679

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 146197869) is N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Nc2ccccc2Br)cc1C.
What is the InChIKey of N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is OXQVKYUYVJZIHS-UDWIEESQSA-N. The full InChI is InChI=1S/C18H22BrN3/c1-5-22(4)12-20-17-10-14(3)18(11-13(17)2)21-16-9-7-6-8-15(16)19/h6-12,21H,5H2,1-4H3/b20-12+.
What are the key properties of N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 360.30 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 146197869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).