2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine

C15H13Cl2FIN — CID 103214727

IUPAC2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1c(F)cccc1Cl)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H13Cl2FIN/c1-20-15(9-5-6-14(19)12(17)7-9)8-10-11(16)3-2-4-13(10)18/h2-7,15,20H,8H2,1H3
InChIKeyLLBYGVANNRDSHE-UHFFFAOYSA-N
MW424.08 g/mol
LogP5.24
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine

2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine (PubChem CID 103214727) has the molecular formula C15H13Cl2FIN and a molecular weight of 424.08 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
PubChem CID103214727
Molecular FormulaC15H13Cl2FIN
Molecular Weight424.08 g/mol
Exact Mass422.95
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1c(F)cccc1Cl)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H13Cl2FIN/c1-20-15(9-5-6-14(19)12(17)7-9)8-10-11(16)3-2-4-13(10)18/h2-7,15,20H,8H2,1H3
InChIKeyLLBYGVANNRDSHE-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.08
LogP ≤ 55.24
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-(2-chloro-6-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486472
1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 63418484
1-(3-chloro-4-iodophenyl)-2-(2,6-difluorophenyl)-N-ethylethanamine
CID 103216510
2-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
CID 106274091
2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61079682
1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 103214634
1-(3-chloro-4-iodophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 103214822
2-(2-chloro-6-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503364
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
2-(2-chloro-6-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 43484891
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 107476331
1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 103215327

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine (CID 103214727) is 2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine is CNC(Cc1c(F)cccc1Cl)c1ccc(I)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine?
The InChIKey is LLBYGVANNRDSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FIN/c1-20-15(9-5-6-14(19)12(17)7-9)8-10-11(16)3-2-4-13(10)18/h2-7,15,20H,8H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine?
2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine has a molecular weight of 424.08 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine is sourced from PubChem (CID 103214727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).