N,N'-bis(4-iodophenyl)methanediamine

C13H12I2N2 — CID 102159523

IUPACN,N'-bis(4-iodophenyl)methanediamine
SMILESIc1ccc(NCNc2ccc(I)cc2)cc1
InChIInChI=1S/C13H12I2N2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8,16-17H,9H2
InChIKeyQVIRONDWWPFDEP-UHFFFAOYSA-N
MW450.06 g/mol
LogP4.38
Rot. Bonds4

About N,N'-bis(4-iodophenyl)methanediamine

N,N'-bis(4-iodophenyl)methanediamine (PubChem CID 102159523) has the molecular formula C13H12I2N2 and a molecular weight of 450.06 g/mol. Its IUPAC name is N,N'-bis(4-iodophenyl)methanediamine.

Molecular Properties

Compound NameN,N'-bis(4-iodophenyl)methanediamine
PubChem CID102159523
Molecular FormulaC13H12I2N2
Molecular Weight450.06 g/mol
Exact Mass449.91
IUPAC NameN,N'-bis(4-iodophenyl)methanediamine
SMILESIc1ccc(NCNc2ccc(I)cc2)cc1
InChIInChI=1S/C13H12I2N2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8,16-17H,9H2
InChIKeyQVIRONDWWPFDEP-UHFFFAOYSA-N
XLogP4.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.06
LogP ≤ 54.38
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'-(4-iodophenyl)-N-phenylmethanediamine
CID 102159524
4-iodo-N-prop-2-enylaniline
CID 62140116
N-[(4-iodophenyl)methyl]-4-methylaniline
CID 60674684
3-(4-iodoanilino)propanoic acid
CID 28976553
N-[(2,6-dichlorophenyl)methyl]-4-iodoaniline
CID 28878736
1,1-diethyl-2-(4-iodophenyl)hydrazine
CID 174643318
4-iodo-N-pent-3-ynylaniline
CID 104806192
4-iodo-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43773251
4-iodo-N-(2-propan-2-yloxyethyl)aniline
CID 60679190
4-iodo-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62329060
N-[(2-chlorophenyl)methyl]-4-iodoaniline
CID 28878735
2-amino-3-(4-iodoanilino)propanamide
CID 103236780

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-iodophenyl)methanediamine?
The IUPAC name of N,N'-bis(4-iodophenyl)methanediamine (CID 102159523) is N,N'-bis(4-iodophenyl)methanediamine.
What is the SMILES notation for N,N'-bis(4-iodophenyl)methanediamine?
The canonical SMILES for N,N'-bis(4-iodophenyl)methanediamine is Ic1ccc(NCNc2ccc(I)cc2)cc1.
What is the InChIKey of N,N'-bis(4-iodophenyl)methanediamine?
The InChIKey is QVIRONDWWPFDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12I2N2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8,16-17H,9H2.
What are the key properties of N,N'-bis(4-iodophenyl)methanediamine?
N,N'-bis(4-iodophenyl)methanediamine has a molecular weight of 450.06 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-iodophenyl)methanediamine is sourced from PubChem (CID 102159523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).