N'-(4-iodophenyl)-N-phenylmethanediamine

C13H13IN2 — CID 102159524

IUPACN'-(4-iodophenyl)-N-phenylmethanediamine
SMILESIc1ccc(NCNc2ccccc2)cc1
InChIInChI=1S/C13H13IN2/c14-11-6-8-13(9-7-11)16-10-15-12-4-2-1-3-5-12/h1-9,15-16H,10H2
InChIKeyRNXQNIATBIKWHI-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.77
Rot. Bonds4

About N'-(4-iodophenyl)-N-phenylmethanediamine

N'-(4-iodophenyl)-N-phenylmethanediamine (PubChem CID 102159524) has the molecular formula C13H13IN2 and a molecular weight of 324.17 g/mol. Its IUPAC name is N'-(4-iodophenyl)-N-phenylmethanediamine.

Molecular Properties

Compound NameN'-(4-iodophenyl)-N-phenylmethanediamine
PubChem CID102159524
Molecular FormulaC13H13IN2
Molecular Weight324.17 g/mol
Exact Mass324.01
IUPAC NameN'-(4-iodophenyl)-N-phenylmethanediamine
SMILESIc1ccc(NCNc2ccccc2)cc1
InChIInChI=1S/C13H13IN2/c14-11-6-8-13(9-7-11)16-10-15-12-4-2-1-3-5-12/h1-9,15-16H,10H2
InChIKeyRNXQNIATBIKWHI-UHFFFAOYSA-N
XLogP3.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(4-iodophenyl)methanediamine
CID 102159523
4-iodo-N-phenylaniline
CID 11471947
1-(4-iodophenyl)-2-phenylhydrazine
CID 15723290
N,N'-diphenylmethanediamine;ethane-1,2-diol
CID 160711297
N-[(2-chlorophenyl)methyl]-4-iodoaniline
CID 28878735
N'-(2-methylphenyl)-N-phenylmethanediamine
CID 14173164
N'-(3-fluorophenyl)-N-phenylmethanediamine
CID 141068458
N-benzyl-N'-phenylmethanediamine
CID 151589453
N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine
CID 88517859
3-(4-iodoanilino)propanoic acid
CID 28976553
N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline
CID 28878736
4-iodo-N-prop-2-enylaniline
CID 62140116

Frequently Asked Questions

What is the IUPAC name of N'-(4-iodophenyl)-N-phenylmethanediamine?
The IUPAC name of N'-(4-iodophenyl)-N-phenylmethanediamine (CID 102159524) is N'-(4-iodophenyl)-N-phenylmethanediamine.
What is the SMILES notation for N'-(4-iodophenyl)-N-phenylmethanediamine?
The canonical SMILES for N'-(4-iodophenyl)-N-phenylmethanediamine is Ic1ccc(NCNc2ccccc2)cc1.
What is the InChIKey of N'-(4-iodophenyl)-N-phenylmethanediamine?
The InChIKey is RNXQNIATBIKWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2/c14-11-6-8-13(9-7-11)16-10-15-12-4-2-1-3-5-12/h1-9,15-16H,10H2.
What are the key properties of N'-(4-iodophenyl)-N-phenylmethanediamine?
N'-(4-iodophenyl)-N-phenylmethanediamine has a molecular weight of 324.17 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-iodophenyl)-N-phenylmethanediamine is sourced from PubChem (CID 102159524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).