(3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine

C15H15ClINO2 — CID 103215224

IUPAC(3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(I)c(Cl)c2)c(OC)c1
InChIInChI=1S/C15H15ClINO2/c1-19-10-4-5-11(14(8-10)20-2)15(18)9-3-6-13(17)12(16)7-9/h3-8,15H,18H2,1-2H3
InChIKeyVIHMBCKMVGVCPP-UHFFFAOYSA-N
MW403.65 g/mol
LogP4.01
Rot. Bonds4

About (3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine

(3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine (PubChem CID 103215224) has the molecular formula C15H15ClINO2 and a molecular weight of 403.65 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine
PubChem CID103215224
Molecular FormulaC15H15ClINO2
Molecular Weight403.65 g/mol
Exact Mass402.98
IUPAC Name(3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(I)c(Cl)c2)c(OC)c1
InChIInChI=1S/C15H15ClINO2/c1-19-10-4-5-11(14(8-10)20-2)15(18)9-3-6-13(17)12(16)7-9/h3-8,15H,18H2,1-2H3
InChIKeyVIHMBCKMVGVCPP-UHFFFAOYSA-N
XLogP4.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.65
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)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

(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 103220223
(3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 103219970
(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
CID 60788475
(3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43131080
(2,5-dichlorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43093792
(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 63093313
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491
(2,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43825039
(3-chlorothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 80529748
(4-chloro-2-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197289
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
(2,4-dimethoxyphenyl)-[4-[(4-methylphenyl)methoxy]phenyl]methanamine
CID 70933146

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine?
The IUPAC name of (3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine (CID 103215224) is (3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine?
The canonical SMILES for (3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(I)c(Cl)c2)c(OC)c1.
What is the InChIKey of (3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine?
The InChIKey is VIHMBCKMVGVCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClINO2/c1-19-10-4-5-11(14(8-10)20-2)15(18)9-3-6-13(17)12(16)7-9/h3-8,15H,18H2,1-2H3.
What are the key properties of (3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine?
(3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine has a molecular weight of 403.65 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 103215224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).