[3-chloro-2-(4-iodophenoxy)phenyl]methanamine

C13H11ClINO — CID 114069346

IUPAC[3-chloro-2-(4-iodophenoxy)phenyl]methanamine
SMILESNCc1cccc(Cl)c1Oc1ccc(I)cc1
InChIInChI=1S/C13H11ClINO/c14-12-3-1-2-9(8-16)13(12)17-11-6-4-10(15)5-7-11/h1-7H,8,16H2
InChIKeyJOSXEHNSXWLGON-UHFFFAOYSA-N
MW359.59 g/mol
LogP4.20
Rot. Bonds3

About [3-chloro-2-(4-iodophenoxy)phenyl]methanamine

[3-chloro-2-(4-iodophenoxy)phenyl]methanamine (PubChem CID 114069346) has the molecular formula C13H11ClINO and a molecular weight of 359.59 g/mol. Its IUPAC name is [3-chloro-2-(4-iodophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(4-iodophenoxy)phenyl]methanamine
PubChem CID114069346
Molecular FormulaC13H11ClINO
Molecular Weight359.59 g/mol
Exact Mass358.96
IUPAC Name[3-chloro-2-(4-iodophenoxy)phenyl]methanamine
SMILESNCc1cccc(Cl)c1Oc1ccc(I)cc1
InChIInChI=1S/C13H11ClINO/c14-12-3-1-2-9(8-16)13(12)17-11-6-4-10(15)5-7-11/h1-7H,8,16H2
InChIKeyJOSXEHNSXWLGON-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.59
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-chloro-2-(4-iodophenoxy)phenyl]methanamine 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

[4-[2-(aminomethyl)-6-chlorophenoxy]phenyl]methanol
CID 114069405
3-chloro-2-(4-iodophenoxy)aniline
CID 43144713
1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene
CID 114067983
[4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol
CID 114067626
[3-chloro-2-(4-fluorophenoxy)phenyl]methanol
CID 114067610
2-[3-chloro-2-(3-methylphenoxy)phenyl]ethanamine
CID 114070200
[3-chloro-2-(2-ethylbutoxy)phenyl]methanamine
CID 112607589
[2-(2-chlorophenoxy)-3-fluorophenyl]methanamine
CID 114069271
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
2-[4-[2-(bromomethyl)-6-chlorophenoxy]phenyl]acetonitrile
CID 114067965
[3-chloro-2-(4,4,4-trifluorobutoxy)phenyl]methanamine
CID 112607694
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(4-iodophenoxy)phenyl]methanamine?
The IUPAC name of [3-chloro-2-(4-iodophenoxy)phenyl]methanamine (CID 114069346) is [3-chloro-2-(4-iodophenoxy)phenyl]methanamine.
What is the SMILES notation for [3-chloro-2-(4-iodophenoxy)phenyl]methanamine?
The canonical SMILES for [3-chloro-2-(4-iodophenoxy)phenyl]methanamine is NCc1cccc(Cl)c1Oc1ccc(I)cc1.
What is the InChIKey of [3-chloro-2-(4-iodophenoxy)phenyl]methanamine?
The InChIKey is JOSXEHNSXWLGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINO/c14-12-3-1-2-9(8-16)13(12)17-11-6-4-10(15)5-7-11/h1-7H,8,16H2.
What are the key properties of [3-chloro-2-(4-iodophenoxy)phenyl]methanamine?
[3-chloro-2-(4-iodophenoxy)phenyl]methanamine has a molecular weight of 359.59 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(4-iodophenoxy)phenyl]methanamine is sourced from PubChem (CID 114069346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).