2-iodo-N-methylnaphthalen-1-amine

C11H10IN — CID 174703864

IUPAC2-iodo-N-methylnaphthalen-1-amine
SMILESCNc1c(I)ccc2ccccc12
InChIInChI=1S/C11H10IN/c1-13-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7,13H,1H3
InChIKeyLNSWTAVAVVJJJO-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.49
Rot. Bonds1

About 2-iodo-N-methylnaphthalen-1-amine

2-iodo-N-methylnaphthalen-1-amine (PubChem CID 174703864) has the molecular formula C11H10IN and a molecular weight of 283.11 g/mol. Its IUPAC name is 2-iodo-N-methylnaphthalen-1-amine.

Molecular Properties

Compound Name2-iodo-N-methylnaphthalen-1-amine
PubChem CID174703864
Molecular FormulaC11H10IN
Molecular Weight283.11 g/mol
Exact Mass282.99
IUPAC Name2-iodo-N-methylnaphthalen-1-amine
SMILESCNc1c(I)ccc2ccccc12
InChIInChI=1S/C11H10IN/c1-13-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7,13H,1H3
InChIKeyLNSWTAVAVVJJJO-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.49
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 2-iodo-N-methylnaphthalen-1-amine?
The IUPAC name of 2-iodo-N-methylnaphthalen-1-amine (CID 174703864) is 2-iodo-N-methylnaphthalen-1-amine.
What is the SMILES notation for 2-iodo-N-methylnaphthalen-1-amine?
The canonical SMILES for 2-iodo-N-methylnaphthalen-1-amine is CNc1c(I)ccc2ccccc12.
What is the InChIKey of 2-iodo-N-methylnaphthalen-1-amine?
The InChIKey is LNSWTAVAVVJJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN/c1-13-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7,13H,1H3.
What are the key properties of 2-iodo-N-methylnaphthalen-1-amine?
2-iodo-N-methylnaphthalen-1-amine has a molecular weight of 283.11 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-methylnaphthalen-1-amine is sourced from PubChem (CID 174703864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).