1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine

C15H14Cl3N — CID 106857196

IUPAC1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine
SMILESCc1ccc(C(N)Cc2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl3N/c1-9-5-6-10(14(18)7-9)15(19)8-11-12(16)3-2-4-13(11)17/h2-7,15H,8,19H2,1H3
InChIKeyJOJOXEBDVDLEEQ-UHFFFAOYSA-N
MW314.64 g/mol
LogP5.20
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine

1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine (PubChem CID 106857196) has the molecular formula C15H14Cl3N and a molecular weight of 314.64 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine
PubChem CID106857196
Molecular FormulaC15H14Cl3N
Molecular Weight314.64 g/mol
Exact Mass313.02
IUPAC Name1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine
SMILESCc1ccc(C(N)Cc2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl3N/c1-9-5-6-10(14(18)7-9)15(19)8-11-12(16)3-2-4-13(11)17/h2-7,15H,8,19H2,1H3
InChIKeyJOJOXEBDVDLEEQ-UHFFFAOYSA-N
XLogP5.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.64
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 106859115
1-(2-chloro-4-methylphenyl)but-3-yn-1-amine
CID 106856843
1-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine
CID 106861532
(1S)-1-(2-chloro-4-methylphenyl)-3-methylbutan-1-amine
CID 99737671
2-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 63414806
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
1-(2,4-dichlorophenyl)-2-(3-methylphenyl)ethanamine
CID 62387674
1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 115830073
(1S)-1-(2-chloro-4-methylphenyl)ethanamine
CID 96956130
2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704202
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol
CID 106859457

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine (CID 106857196) is 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine is Cc1ccc(C(N)Cc2c(Cl)cccc2Cl)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine?
The InChIKey is JOJOXEBDVDLEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N/c1-9-5-6-10(14(18)7-9)15(19)8-11-12(16)3-2-4-13(11)17/h2-7,15H,8,19H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine?
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine has a molecular weight of 314.64 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine is sourced from PubChem (CID 106857196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).