N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

C14H19IN2 — CID 142748266

IUPACN-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESIc1ccccc1CNC1CN2CCC1CC2
InChIInChI=1S/C14H19IN2/c15-13-4-2-1-3-12(13)9-16-14-10-17-7-5-11(14)6-8-17/h1-4,11,14,16H,5-10H2
InChIKeyOQFSJSIUSBXNSW-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.47
Rot. Bonds3

About N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 142748266) has the molecular formula C14H19IN2 and a molecular weight of 342.22 g/mol. Its IUPAC name is N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID142748266
Molecular FormulaC14H19IN2
Molecular Weight342.22 g/mol
Exact Mass342.06
IUPAC NameN-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESIc1ccccc1CNC1CN2CCC1CC2
InChIInChI=1S/C14H19IN2/c15-13-4-2-1-3-12(13)9-16-14-10-17-7-5-11(14)6-8-17/h1-4,11,14,16H,5-10H2
InChIKeyOQFSJSIUSBXNSW-UHFFFAOYSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]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

Related Compounds

N-[(2-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158962
N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60924538
N-[(2-propan-2-yloxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763475
2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol
CID 105364937
N-(1H-benzimidazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 10377720
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43583512
N-[2-(2-methylphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 79763308
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158799
N-[(2-fluoro-3-nitrophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 107348903
(3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 95228435
2-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-4-pyridin-2-ylphenol
CID 135908043
N-[(4-ethylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158935

Frequently Asked Questions

What is the IUPAC name of N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 142748266) is N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is Ic1ccccc1CNC1CN2CCC1CC2.
What is the InChIKey of N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is OQFSJSIUSBXNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2/c15-13-4-2-1-3-12(13)9-16-14-10-17-7-5-11(14)6-8-17/h1-4,11,14,16H,5-10H2.
What are the key properties of N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 342.22 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 142748266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).