2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine

C8H11IN2 — CID 139409605

IUPAC2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine
SMILESCNc1ccccc1NCI
InChIInChI=1S/C8H11IN2/c1-10-7-4-2-3-5-8(7)11-6-9/h2-5,10-11H,6H2,1H3
InChIKeyVRRPXAOICRFBRZ-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.53
Rot. Bonds3

About 2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine

2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine (PubChem CID 139409605) has the molecular formula C8H11IN2 and a molecular weight of 262.09 g/mol. Its IUPAC name is 2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine
PubChem CID139409605
Molecular FormulaC8H11IN2
Molecular Weight262.09 g/mol
Exact Mass262.00
IUPAC Name2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine
SMILESCNc1ccccc1NCI
InChIInChI=1S/C8H11IN2/c1-10-7-4-2-3-5-8(7)11-6-9/h2-5,10-11H,6H2,1H3
InChIKeyVRRPXAOICRFBRZ-UHFFFAOYSA-N
XLogP2.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine (CID 139409605) is 2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine is CNc1ccccc1NCI.
What is the InChIKey of 2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine?
The InChIKey is VRRPXAOICRFBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2/c1-10-7-4-2-3-5-8(7)11-6-9/h2-5,10-11H,6H2,1H3.
What are the key properties of 2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine?
2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine has a molecular weight of 262.09 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(iodomethyl)-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 139409605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).