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

C15H13Cl4N — CID 115830438

IUPAC1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl4N/c1-20-15(10-6-5-9(16)7-14(10)19)8-11-12(17)3-2-4-13(11)18/h2-7,15,20H,8H2,1H3
InChIKeyBQJUIKXLRIHQKI-UHFFFAOYSA-N
MW349.09 g/mol
LogP5.80
Rot. Bonds4

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

1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine (PubChem CID 115830438) has the molecular formula C15H13Cl4N and a molecular weight of 349.09 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
PubChem CID115830438
Molecular FormulaC15H13Cl4N
Molecular Weight349.09 g/mol
Exact Mass346.98
IUPAC Name1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl4N/c1-20-15(10-6-5-9(16)7-14(10)19)8-11-12(17)3-2-4-13(11)18/h2-7,15,20H,8H2,1H3
InChIKeyBQJUIKXLRIHQKI-UHFFFAOYSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.09
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 63417950
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 107476331
1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864231
1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 63418484
1-(5-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830664
1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830097
1-(2-chloro-4,5-difluorophenyl)-2-(2,6-difluorophenyl)-N-methylethanamine
CID 107476197
1-(2,5-dibromothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 107968086
1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830255
3-(2,4-dichlorophenyl)-3-(methylamino)propanenitrile
CID 116955201
2-(5-chloro-2-fluorophenyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 103048581
2-(2,6-dichlorophenyl)-1-(3,5-difluorophenyl)-N-methylethanamine
CID 63417365

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine (CID 115830438) is 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine is CNC(Cc1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine?
The InChIKey is BQJUIKXLRIHQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl4N/c1-20-15(10-6-5-9(16)7-14(10)19)8-11-12(17)3-2-4-13(11)18/h2-7,15,20H,8H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine?
1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine has a molecular weight of 349.09 g/mol, XLogP of 5.80, 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-(2,6-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 115830438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).