(4-chlorophenyl)-(2-iodophenyl)methanamine

C13H11ClIN — CID 24707466

IUPAC(4-chlorophenyl)-(2-iodophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccccc1I
InChIInChI=1S/C13H11ClIN/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,13H,16H2
InChIKeyVMZPDWGTLRKIND-UHFFFAOYSA-N
MW343.60 g/mol
LogP3.99
Rot. Bonds2

About (4-chlorophenyl)-(2-iodophenyl)methanamine

(4-chlorophenyl)-(2-iodophenyl)methanamine (PubChem CID 24707466) has the molecular formula C13H11ClIN and a molecular weight of 343.60 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-iodophenyl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-iodophenyl)methanamine
PubChem CID24707466
Molecular FormulaC13H11ClIN
Molecular Weight343.60 g/mol
Exact Mass342.96
IUPAC Name(4-chlorophenyl)-(2-iodophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccccc1I
InChIInChI=1S/C13H11ClIN/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,13H,16H2
InChIKeyVMZPDWGTLRKIND-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.60
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl)-(2-iodophenyl)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-ethoxyphenyl)-(2-iodophenyl)methanamine
CID 43197172
(2-chlorophenyl)-(4-iodophenyl)methanamine
CID 115800922
(2-chloro-3-fluorophenyl)-(4-chlorophenyl)methanamine
CID 81454943
(4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 62790847
(5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine
CID 114030061
(2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198713
(4-chlorophenyl)-quinolin-4-ylmethanamine
CID 105076501
(2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine
CID 114024420
1-[2-[1-(4-chlorophenyl)ethyl]phenyl]ethanamine
CID 143284996
(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195
(5-chloro-2-iodophenyl)-(2-methoxyphenyl)methanamine
CID 114030041
(4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105076308

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-iodophenyl)methanamine?
The IUPAC name of (4-chlorophenyl)-(2-iodophenyl)methanamine (CID 24707466) is (4-chlorophenyl)-(2-iodophenyl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-(2-iodophenyl)methanamine?
The canonical SMILES for (4-chlorophenyl)-(2-iodophenyl)methanamine is NC(c1ccc(Cl)cc1)c1ccccc1I.
What is the InChIKey of (4-chlorophenyl)-(2-iodophenyl)methanamine?
The InChIKey is VMZPDWGTLRKIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClIN/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8,13H,16H2.
What are the key properties of (4-chlorophenyl)-(2-iodophenyl)methanamine?
(4-chlorophenyl)-(2-iodophenyl)methanamine has a molecular weight of 343.60 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-iodophenyl)methanamine is sourced from PubChem (CID 24707466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).