N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C14H19IN2 — CID 43131809

IUPACN-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(Nc1cccc(I)c1)C2
InChIInChI=1S/C14H19IN2/c1-17-13-5-6-14(17)9-12(8-13)16-11-4-2-3-10(15)7-11/h2-4,7,12-14,16H,5-6,8-9H2,1H3
InChIKeyYJFNMRHSNHYOCB-UHFFFAOYSA-N
MW342.22 g/mol
LogP3.33
Rot. Bonds2

About N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43131809) has the molecular formula C14H19IN2 and a molecular weight of 342.22 g/mol. Its IUPAC name is N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43131809
Molecular FormulaC14H19IN2
Molecular Weight342.22 g/mol
Exact Mass342.06
IUPAC NameN-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(Nc1cccc(I)c1)C2
InChIInChI=1S/C14H19IN2/c1-17-13-5-6-14(17)9-12(8-13)16-11-4-2-3-10(15)7-11/h2-4,7,12-14,16H,5-6,8-9H2,1H3
InChIKeyYJFNMRHSNHYOCB-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine 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 N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 43131809) is N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(Nc1cccc(I)c1)C2.
What is the InChIKey of N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is YJFNMRHSNHYOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2/c1-17-13-5-6-14(17)9-12(8-13)16-11-4-2-3-10(15)7-11/h2-4,7,12-14,16H,5-6,8-9H2,1H3.
What are the key properties of N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 342.22 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43131809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).