1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine

C15H14Cl2IN — CID 115864231

IUPAC1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2IN/c1-19-15(8-10-2-5-12(18)6-3-10)13-7-4-11(16)9-14(13)17/h2-7,9,15,19H,8H2,1H3
InChIKeyKPKLOMOBTVSSIJ-UHFFFAOYSA-N
MW406.09 g/mol
LogP5.10
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine

1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine (PubChem CID 115864231) has the molecular formula C15H14Cl2IN and a molecular weight of 406.09 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine
PubChem CID115864231
Molecular FormulaC15H14Cl2IN
Molecular Weight406.09 g/mol
Exact Mass404.95
IUPAC Name1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2IN/c1-19-15(8-10-2-5-12(18)6-3-10)13-7-4-11(16)9-14(13)17/h2-7,9,15,19H,8H2,1H3
InChIKeyKPKLOMOBTVSSIJ-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.09
LogP ≤ 55.10
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

1-(2-chloro-4,5-dimethylphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115483837
1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830438
1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064661
1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 107993415
1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 114906381
1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864205
1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864311
1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 81305355
1-(2-chloro-4,5-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 107476269
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63420064
[1-(2-bromo-4-chlorophenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 107997066
3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile
CID 116955201

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine (CID 115864231) is 1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine is CNC(Cc1ccc(I)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine?
The InChIKey is KPKLOMOBTVSSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2IN/c1-19-15(8-10-2-5-12(18)6-3-10)13-7-4-11(16)9-14(13)17/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine?
1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine has a molecular weight of 406.09 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine is sourced from PubChem (CID 115864231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).