N-ethyl-1-(4-iodophenyl)cyclopropan-1-amine

C11H14IN — CID 118201201

IUPACN-ethyl-1-(4-iodophenyl)cyclopropan-1-amine
SMILESCCNC1(c2ccc(I)cc2)CC1
InChIInChI=1S/C11H14IN/c1-2-13-11(7-8-11)9-3-5-10(12)6-4-9/h3-6,13H,2,7-8H2,1H3
InChIKeyFYPYKVOEIHTOPD-UHFFFAOYSA-N
MW287.14 g/mol
LogP2.89
Rot. Bonds3

About N-ethyl-1-(4-iodophenyl)cyclopropan-1-amine

N-ethyl-1-(4-iodophenyl)cyclopropan-1-amine (PubChem CID 118201201) has the molecular formula C11H14IN and a molecular weight of 287.14 g/mol. Its IUPAC name is N-ethyl-1-(4-iodophenyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-iodophenyl)cyclopropan-1-amine
PubChem CID118201201
Molecular FormulaC11H14IN
Molecular Weight287.14 g/mol
Exact Mass287.02
IUPAC NameN-ethyl-1-(4-iodophenyl)cyclopropan-1-amine
SMILESCCNC1(c2ccc(I)cc2)CC1
InChIInChI=1S/C11H14IN/c1-2-13-11(7-8-11)9-3-5-10(12)6-4-9/h3-6,13H,2,7-8H2,1H3
InChIKeyFYPYKVOEIHTOPD-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(4-iodophenyl)cyclopropan-1-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-ethyl-1-(4-iodophenyl)cyclopropan-1-amine?
The IUPAC name of N-ethyl-1-(4-iodophenyl)cyclopropan-1-amine (CID 118201201) is N-ethyl-1-(4-iodophenyl)cyclopropan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-iodophenyl)cyclopropan-1-amine?
The canonical SMILES for N-ethyl-1-(4-iodophenyl)cyclopropan-1-amine is CCNC1(c2ccc(I)cc2)CC1.
What is the InChIKey of N-ethyl-1-(4-iodophenyl)cyclopropan-1-amine?
The InChIKey is FYPYKVOEIHTOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN/c1-2-13-11(7-8-11)9-3-5-10(12)6-4-9/h3-6,13H,2,7-8H2,1H3.
What are the key properties of N-ethyl-1-(4-iodophenyl)cyclopropan-1-amine?
N-ethyl-1-(4-iodophenyl)cyclopropan-1-amine has a molecular weight of 287.14 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-iodophenyl)cyclopropan-1-amine is sourced from PubChem (CID 118201201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).