2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine

C15H15ClIN — CID 61079847

IUPAC2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1ccccc1I
InChIInChI=1S/C15H15ClIN/c1-18-15(12-7-3-5-9-14(12)17)10-11-6-2-4-8-13(11)16/h2-9,15,18H,10H2,1H3
InChIKeyVCCADEAPXVBAII-UHFFFAOYSA-N
MW371.65 g/mol
LogP4.45
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine

2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine (PubChem CID 61079847) has the molecular formula C15H15ClIN and a molecular weight of 371.65 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine
PubChem CID61079847
Molecular FormulaC15H15ClIN
Molecular Weight371.65 g/mol
Exact Mass370.99
IUPAC Name2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1ccccc1I
InChIInChI=1S/C15H15ClIN/c1-18-15(12-7-3-5-9-14(12)17)10-11-6-2-4-8-13(11)16/h2-9,15,18H,10H2,1H3
InChIKeyVCCADEAPXVBAII-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.65
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 102866450
N-[2-(2-chlorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527893
2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 61078717
2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 105096581
[2-(2,3-dichlorophenyl)-1-(2-iodophenyl)ethyl]hydrazine
CID 107312879
1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 61079470
2-(4-fluoro-2-methylphenyl)-1-(2-iodophenyl)-N-methylethanamine
CID 105050991
1-(5-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 43480061
2-(2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 79723957
2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745177
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-iodophenyl)-N-methylethanamine
CID 105001342

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine (CID 61079847) is 2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine is CNC(Cc1ccccc1Cl)c1ccccc1I.
What is the InChIKey of 2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine?
The InChIKey is VCCADEAPXVBAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClIN/c1-18-15(12-7-3-5-9-14(12)17)10-11-6-2-4-8-13(11)16/h2-9,15,18H,10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine?
2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine has a molecular weight of 371.65 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(2-iodophenyl)-N-methylethanamine is sourced from PubChem (CID 61079847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).