N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline

C14H12Br2N2 — CID 57372244

IUPACN-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline
SMILESCc1cc(Br)c(C=NNc2ccccc2)cc1Br
InChIInChI=1S/C14H12Br2N2/c1-10-7-14(16)11(8-13(10)15)9-17-18-12-5-3-2-4-6-12/h2-9,18H,1H3
InChIKeyPBBUGVVQGONNLY-UHFFFAOYSA-N
MW368.07 g/mol
LogP4.97
Rot. Bonds3

About N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline

N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline (PubChem CID 57372244) has the molecular formula C14H12Br2N2 and a molecular weight of 368.07 g/mol. Its IUPAC name is N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline
PubChem CID57372244
Molecular FormulaC14H12Br2N2
Molecular Weight368.07 g/mol
Exact Mass365.94
IUPAC NameN-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline
SMILESCc1cc(Br)c(C=NNc2ccccc2)cc1Br
InChIInChI=1S/C14H12Br2N2/c1-10-7-14(16)11(8-13(10)15)9-17-18-12-5-3-2-4-6-12/h2-9,18H,1H3
InChIKeyPBBUGVVQGONNLY-UHFFFAOYSA-N
XLogP4.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.07
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol
CID 169381526
N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline
CID 169381492
[4-bromo-3-[(phenylhydrazinylidene)methyl]phenyl] acetate
CID 169382888
N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]aniline
CID 4212050
N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline
CID 169383720
[5-bromo-2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] acetate
CID 169383922
N-[(3-bromo-5-tert-butyl-2-fluorophenyl)methylideneamino]aniline
CID 169382608
N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612
N-[(4-bromo-3-fluoro-2-methoxyphenyl)methylideneamino]aniline
CID 169384109
N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline
CID 11301243
N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline
CID 169384095
N-[(Z)-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]aniline
CID 126070624

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline?
The IUPAC name of N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline (CID 57372244) is N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline is Cc1cc(Br)c(C=NNc2ccccc2)cc1Br.
What is the InChIKey of N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline?
The InChIKey is PBBUGVVQGONNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2/c1-10-7-14(16)11(8-13(10)15)9-17-18-12-5-3-2-4-6-12/h2-9,18H,1H3.
What are the key properties of N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline?
N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline has a molecular weight of 368.07 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dibromo-4-methylphenyl)methylideneamino]aniline is sourced from PubChem (CID 57372244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).