2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride

C11H16ClF2IN2 — CID 120840451

IUPAC2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
SMILESCC(CN)N(C)Cc1c(F)ccc(I)c1F.Cl
InChIInChI=1S/C11H15F2IN2.ClH/c1-7(5-15)16(2)6-8-9(12)3-4-10(14)11(8)13;/h3-4,7H,5-6,15H2,1-2H3;1H
InChIKeySANHYLMQMDEZSE-UHFFFAOYSA-N
MW376.62 g/mol
LogP2.77
Rot. Bonds4

About 2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride

2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride (PubChem CID 120840451) has the molecular formula C11H16ClF2IN2 and a molecular weight of 376.62 g/mol. Its IUPAC name is 2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
PubChem CID120840451
Molecular FormulaC11H16ClF2IN2
Molecular Weight376.62 g/mol
Exact Mass376.00
IUPAC Name2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
SMILESCC(CN)N(C)Cc1c(F)ccc(I)c1F.Cl
InChIInChI=1S/C11H15F2IN2.ClH/c1-7(5-15)16(2)6-8-9(12)3-4-10(14)11(8)13;/h3-4,7H,5-6,15H2,1-2H3;1H
InChIKeySANHYLMQMDEZSE-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.62
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride (CID 120840451) is 2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride is CC(CN)N(C)Cc1c(F)ccc(I)c1F.Cl.
What is the InChIKey of 2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
The InChIKey is SANHYLMQMDEZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2IN2.ClH/c1-7(5-15)16(2)6-8-9(12)3-4-10(14)11(8)13;/h3-4,7H,5-6,15H2,1-2H3;1H.
What are the key properties of 2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride has a molecular weight of 376.62 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,6-difluoro-3-iodophenyl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120840451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).