1-[2-(4-iodophenoxy)phenyl]propan-2-amine

C15H16INO — CID 63802805

IUPAC1-[2-(4-iodophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1Oc1ccc(I)cc1
InChIInChI=1S/C15H16INO/c1-11(17)10-12-4-2-3-5-15(12)18-14-8-6-13(16)7-9-14/h2-9,11H,10,17H2,1H3
InChIKeyPQKYEFSHCSCNHY-UHFFFAOYSA-N
MW353.20 g/mol
LogP3.97
Rot. Bonds4

About 1-[2-(4-iodophenoxy)phenyl]propan-2-amine

1-[2-(4-iodophenoxy)phenyl]propan-2-amine (PubChem CID 63802805) has the molecular formula C15H16INO and a molecular weight of 353.20 g/mol. Its IUPAC name is 1-[2-(4-iodophenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-iodophenoxy)phenyl]propan-2-amine
PubChem CID63802805
Molecular FormulaC15H16INO
Molecular Weight353.20 g/mol
Exact Mass353.03
IUPAC Name1-[2-(4-iodophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1Oc1ccc(I)cc1
InChIInChI=1S/C15H16INO/c1-11(17)10-12-4-2-3-5-15(12)18-14-8-6-13(16)7-9-14/h2-9,11H,10,17H2,1H3
InChIKeyPQKYEFSHCSCNHY-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(4-iodophenoxy)phenyl]propan-2-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

1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 63817173
1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine
CID 63815038
1-(bromomethyl)-2-(4-iodophenoxy)benzene
CID 107087507
1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine
CID 82727101
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine
CID 63817683
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine
CID 81325789
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790
1-(2-phenoxyphenyl)butan-2-amine
CID 63803280
2-[2-(2-aminopropyl)phenoxy]acetonitrile
CID 60907829
1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
CID 113437064
1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine
CID 63803634

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-iodophenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(4-iodophenoxy)phenyl]propan-2-amine (CID 63802805) is 1-[2-(4-iodophenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-iodophenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(4-iodophenoxy)phenyl]propan-2-amine is CC(N)Cc1ccccc1Oc1ccc(I)cc1.
What is the InChIKey of 1-[2-(4-iodophenoxy)phenyl]propan-2-amine?
The InChIKey is PQKYEFSHCSCNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO/c1-11(17)10-12-4-2-3-5-15(12)18-14-8-6-13(16)7-9-14/h2-9,11H,10,17H2,1H3.
What are the key properties of 1-[2-(4-iodophenoxy)phenyl]propan-2-amine?
1-[2-(4-iodophenoxy)phenyl]propan-2-amine has a molecular weight of 353.20 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-iodophenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63802805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).