1-(4-chloro-2-iodophenyl)cyclopropan-1-amine

C9H9ClIN — CID 146523834

IUPAC1-(4-chloro-2-iodophenyl)cyclopropan-1-amine
SMILESNC1(c2ccc(Cl)cc2I)CC1
InChIInChI=1S/C9H9ClIN/c10-6-1-2-7(8(11)5-6)9(12)3-4-9/h1-2,5H,3-4,12H2
InChIKeyNQDSJJQEUOIMCQ-UHFFFAOYSA-N
MW293.53 g/mol
LogP2.89
Rot. Bonds1

About 1-(4-chloro-2-iodophenyl)cyclopropan-1-amine

1-(4-chloro-2-iodophenyl)cyclopropan-1-amine (PubChem CID 146523834) has the molecular formula C9H9ClIN and a molecular weight of 293.53 g/mol. Its IUPAC name is 1-(4-chloro-2-iodophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-iodophenyl)cyclopropan-1-amine
PubChem CID146523834
Molecular FormulaC9H9ClIN
Molecular Weight293.53 g/mol
Exact Mass292.95
IUPAC Name1-(4-chloro-2-iodophenyl)cyclopropan-1-amine
SMILESNC1(c2ccc(Cl)cc2I)CC1
InChIInChI=1S/C9H9ClIN/c10-6-1-2-7(8(11)5-6)9(12)3-4-9/h1-2,5H,3-4,12H2
InChIKeyNQDSJJQEUOIMCQ-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.53
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-chloro-2-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 1-(4-chloro-2-iodophenyl)cyclopropan-1-amine?
The IUPAC name of 1-(4-chloro-2-iodophenyl)cyclopropan-1-amine (CID 146523834) is 1-(4-chloro-2-iodophenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-iodophenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-chloro-2-iodophenyl)cyclopropan-1-amine is NC1(c2ccc(Cl)cc2I)CC1.
What is the InChIKey of 1-(4-chloro-2-iodophenyl)cyclopropan-1-amine?
The InChIKey is NQDSJJQEUOIMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClIN/c10-6-1-2-7(8(11)5-6)9(12)3-4-9/h1-2,5H,3-4,12H2.
What are the key properties of 1-(4-chloro-2-iodophenyl)cyclopropan-1-amine?
1-(4-chloro-2-iodophenyl)cyclopropan-1-amine has a molecular weight of 293.53 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-iodophenyl)cyclopropan-1-amine is sourced from PubChem (CID 146523834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).