N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine

C14H20INO — CID 103273839

IUPACN-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine
SMILESCCNCCC1(Oc2cccc(I)c2)CCC1
InChIInChI=1S/C14H20INO/c1-2-16-10-9-14(7-4-8-14)17-13-6-3-5-12(15)11-13/h3,5-6,11,16H,2,4,7-10H2,1H3
InChIKeyLFSLAJYULZEGNK-UHFFFAOYSA-N
MW345.22 g/mol
LogP3.59
Rot. Bonds6

About N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine

N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine (PubChem CID 103273839) has the molecular formula C14H20INO and a molecular weight of 345.22 g/mol. Its IUPAC name is N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine
PubChem CID103273839
Molecular FormulaC14H20INO
Molecular Weight345.22 g/mol
Exact Mass345.06
IUPAC NameN-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine
SMILESCCNCCC1(Oc2cccc(I)c2)CCC1
InChIInChI=1S/C14H20INO/c1-2-16-10-9-14(7-4-8-14)17-13-6-3-5-12(15)11-13/h3,5-6,11,16H,2,4,7-10H2,1H3
InChIKeyLFSLAJYULZEGNK-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine 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-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine?
The IUPAC name of N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine (CID 103273839) is N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine is CCNCCC1(Oc2cccc(I)c2)CCC1.
What is the InChIKey of N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine?
The InChIKey is LFSLAJYULZEGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO/c1-2-16-10-9-14(7-4-8-14)17-13-6-3-5-12(15)11-13/h3,5-6,11,16H,2,4,7-10H2,1H3.
What are the key properties of N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine?
N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine has a molecular weight of 345.22 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine is sourced from PubChem (CID 103273839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).