1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine

C15H14Cl2IN — CID 115864205

IUPAC1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2IN/c1-19-14(9-10-5-7-11(18)8-6-10)15-12(16)3-2-4-13(15)17/h2-8,14,19H,9H2,1H3
InChIKeyRUXBQZMIZNJMRK-UHFFFAOYSA-N
MW406.09 g/mol
LogP5.10
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine

1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine (PubChem CID 115864205) has the molecular formula C15H14Cl2IN and a molecular weight of 406.09 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine
PubChem CID115864205
Molecular FormulaC15H14Cl2IN
Molecular Weight406.09 g/mol
Exact Mass404.95
IUPAC Name1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2IN/c1-19-14(9-10-5-7-11(18)8-6-10)15-12(16)3-2-4-13(15)17/h2-8,14,19H,9H2,1H3
InChIKeyRUXBQZMIZNJMRK-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-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 61063993
1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 107993415
2-(4-iodophenyl)-N-methyl-1-phenylethanamine
CID 65479327
1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864231
1-(4-bromo-2,6-difluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864305
1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 82806392
1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864311
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 115818010
2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 65478941
2-(4-bromophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 63526519
1-(2-chlorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 66139977
2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64713817

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine (CID 115864205) is 1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine is CNC(Cc1ccc(I)cc1)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine?
The InChIKey is RUXBQZMIZNJMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2IN/c1-19-14(9-10-5-7-11(18)8-6-10)15-12(16)3-2-4-13(15)17/h2-8,14,19H,9H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine?
1-(2,6-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-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine is sourced from PubChem (CID 115864205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).