1-(2-iodophenyl)-N-methylmethanamine;hydrochloride

C8H11ClIN — CID 155822596

IUPAC1-(2-iodophenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1ccccc1I.Cl
InChIInChI=1S/C8H10IN.ClH/c1-10-6-7-4-2-3-5-8(7)9;/h2-5,10H,6H2,1H3;1H
InChIKeySHVQRNGYJVUJOD-UHFFFAOYSA-N
MW283.54 g/mol
LogP2.43
Rot. Bonds2

About 1-(2-iodophenyl)-N-methylmethanamine;hydrochloride

1-(2-iodophenyl)-N-methylmethanamine;hydrochloride (PubChem CID 155822596) has the molecular formula C8H11ClIN and a molecular weight of 283.54 g/mol. Its IUPAC name is 1-(2-iodophenyl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-iodophenyl)-N-methylmethanamine;hydrochloride
PubChem CID155822596
Molecular FormulaC8H11ClIN
Molecular Weight283.54 g/mol
Exact Mass282.96
IUPAC Name1-(2-iodophenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1ccccc1I.Cl
InChIInChI=1S/C8H10IN.ClH/c1-10-6-7-4-2-3-5-8(7)9;/h2-5,10H,6H2,1H3;1H
InChIKeySHVQRNGYJVUJOD-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.54
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(2-iodophenyl)-N-methylmethanamine;hydrochloride (CID 155822596) is 1-(2-iodophenyl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(2-iodophenyl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(2-iodophenyl)-N-methylmethanamine;hydrochloride is CNCc1ccccc1I.Cl.
What is the InChIKey of 1-(2-iodophenyl)-N-methylmethanamine;hydrochloride?
The InChIKey is SHVQRNGYJVUJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN.ClH/c1-10-6-7-4-2-3-5-8(7)9;/h2-5,10H,6H2,1H3;1H.
What are the key properties of 1-(2-iodophenyl)-N-methylmethanamine;hydrochloride?
1-(2-iodophenyl)-N-methylmethanamine;hydrochloride has a molecular weight of 283.54 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 155822596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).