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

C15H13Cl3FN — CID 63418484

IUPAC1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1c(Cl)cccc1Cl)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13Cl3FN/c1-20-15(9-5-6-14(19)13(18)7-9)8-10-11(16)3-2-4-12(10)17/h2-7,15,20H,8H2,1H3
InChIKeyDYAWJIYHCRGCDM-UHFFFAOYSA-N
MW332.63 g/mol
LogP5.29
Rot. Bonds4

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

1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine (PubChem CID 63418484) has the molecular formula C15H13Cl3FN and a molecular weight of 332.63 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
PubChem CID63418484
Molecular FormulaC15H13Cl3FN
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1c(Cl)cccc1Cl)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13Cl3FN/c1-20-15(9-5-6-14(19)13(18)7-9)8-10-11(16)3-2-4-12(10)17/h2-7,15,20H,8H2,1H3
InChIKeyDYAWJIYHCRGCDM-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.63
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486472
2-(2-chloro-6-fluorophenyl)-1-(3-chloro-4-iodophenyl)-N-methylethanamine
CID 103214727
2-(2,6-dichlorophenyl)-1-(3,5-difluorophenyl)-N-methylethanamine
CID 63417365
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406135
1-(4-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 63417950
1-(4-chloro-3-fluorophenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine
CID 107994783
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
1-(3-chloro-4-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 63094690
2-(2-chloro-6-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61079682
[1-(3-chloro-4-fluorophenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 105218179
1-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63418793
1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830438

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine (CID 63418484) is 1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine is CNC(Cc1c(Cl)cccc1Cl)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine?
The InChIKey is DYAWJIYHCRGCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3FN/c1-20-15(9-5-6-14(19)13(18)7-9)8-10-11(16)3-2-4-12(10)17/h2-7,15,20H,8H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine?
1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine has a molecular weight of 332.63 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 63418484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).