N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline

C14H12I2N2 — CID 71145982

IUPACN-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline
SMILESCc1c(I)cc(/C=N\Nc2ccccc2)cc1I
InChIInChI=1S/C14H12I2N2/c1-10-13(15)7-11(8-14(10)16)9-17-18-12-5-3-2-4-6-12/h2-9,18H,1H3/b17-9-
InChIKeyAWQVCQUABHJFCA-MFOYZWKCSA-N
MW462.07 g/mol
LogP4.65
Rot. Bonds3

About N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline

N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline (PubChem CID 71145982) has the molecular formula C14H12I2N2 and a molecular weight of 462.07 g/mol. Its IUPAC name is N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline
PubChem CID71145982
Molecular FormulaC14H12I2N2
Molecular Weight462.07 g/mol
Exact Mass461.91
IUPAC NameN-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline
SMILESCc1c(I)cc(/C=N\Nc2ccccc2)cc1I
InChIInChI=1S/C14H12I2N2/c1-10-13(15)7-11(8-14(10)16)9-17-18-12-5-3-2-4-6-12/h2-9,18H,1H3/b17-9-
InChIKeyAWQVCQUABHJFCA-MFOYZWKCSA-N
XLogP4.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.07
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137080181
2-iodo-6-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381560
2-iodo-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 137034388
N-[[3-iodo-4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169384130
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503
N-[(2-iodo-6-methylphenyl)methylideneamino]aniline
CID 169384048
N-[[3-iodo-4-(trifluoromethoxy)phenyl]methylideneamino]aniline
CID 169383769
N-[[4-(3,4-dimethylphenyl)phenyl]methylideneamino]aniline
CID 169382287
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
N-[(Z)-(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]aniline
CID 50857555
N-[[4-(3,5-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840192
N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline?
The IUPAC name of N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline (CID 71145982) is N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline is Cc1c(I)cc(/C=N\Nc2ccccc2)cc1I.
What is the InChIKey of N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline?
The InChIKey is AWQVCQUABHJFCA-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H12I2N2/c1-10-13(15)7-11(8-14(10)16)9-17-18-12-5-3-2-4-6-12/h2-9,18H,1H3/b17-9-.
What are the key properties of N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline?
N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline has a molecular weight of 462.07 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-diiodo-4-methylphenyl)methylideneamino]aniline is sourced from PubChem (CID 71145982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).