N'-iodo-N-phenylethane-1,2-diamine

C8H11IN2 — CID 134342135

IUPACN'-iodo-N-phenylethane-1,2-diamine
SMILESINCCNc1ccccc1
InChIInChI=1S/C8H11IN2/c9-11-7-6-10-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
InChIKeyRQLFXEKNHIBSNI-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.04
Rot. Bonds4

About N'-iodo-N-phenylethane-1,2-diamine

N'-iodo-N-phenylethane-1,2-diamine (PubChem CID 134342135) has the molecular formula C8H11IN2 and a molecular weight of 262.09 g/mol. Its IUPAC name is N'-iodo-N-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-iodo-N-phenylethane-1,2-diamine
PubChem CID134342135
Molecular FormulaC8H11IN2
Molecular Weight262.09 g/mol
Exact Mass262.00
IUPAC NameN'-iodo-N-phenylethane-1,2-diamine
SMILESINCCNc1ccccc1
InChIInChI=1S/C8H11IN2/c9-11-7-6-10-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
InChIKeyRQLFXEKNHIBSNI-UHFFFAOYSA-N
XLogP2.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
N-(2-iodoethyl)aniline
CID 11184197
N-[2-(2-anilinoethyldisulfanyl)ethyl]aniline
CID 25130926
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
N-propylaniline
CID 12153
N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806748
N'-phenylheptane-1,7-diamine
CID 61149618
ethane;N'-phenylethane-1,2-diamine
CID 91048519
N-(2-propylsulfanylethyl)aniline
CID 62577965
N-(2-anilinoethyl)carbamoyl chloride
CID 89292343
ethane;N-(2-phenylethyl)aniline
CID 91194556
N-[2-(4-tert-butylphenyl)sulfanylethyl]aniline
CID 63515630

Frequently Asked Questions

What is the IUPAC name of N'-iodo-N-phenylethane-1,2-diamine?
The IUPAC name of N'-iodo-N-phenylethane-1,2-diamine (CID 134342135) is N'-iodo-N-phenylethane-1,2-diamine.
What is the SMILES notation for N'-iodo-N-phenylethane-1,2-diamine?
The canonical SMILES for N'-iodo-N-phenylethane-1,2-diamine is INCCNc1ccccc1.
What is the InChIKey of N'-iodo-N-phenylethane-1,2-diamine?
The InChIKey is RQLFXEKNHIBSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2/c9-11-7-6-10-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2.
What are the key properties of N'-iodo-N-phenylethane-1,2-diamine?
N'-iodo-N-phenylethane-1,2-diamine has a molecular weight of 262.09 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-iodo-N-phenylethane-1,2-diamine is sourced from PubChem (CID 134342135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).