2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine

C15H13Cl2F2N — CID 115830073

IUPAC2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
SMILESCc1cc(C(N)Cc2c(Cl)cccc2Cl)c(F)cc1F
InChIInChI=1S/C15H13Cl2F2N/c1-8-5-10(14(19)7-13(8)18)15(20)6-9-11(16)3-2-4-12(9)17/h2-5,7,15H,6,20H2,1H3
InChIKeyJSSDKTQYUHAMAB-UHFFFAOYSA-N
MW316.18 g/mol
LogP4.82
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine

2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine (PubChem CID 115830073) has the molecular formula C15H13Cl2F2N and a molecular weight of 316.18 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
PubChem CID115830073
Molecular FormulaC15H13Cl2F2N
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
SMILESCc1cc(C(N)Cc2c(Cl)cccc2Cl)c(F)cc1F
InChIInChI=1S/C15H13Cl2F2N/c1-8-5-10(14(19)7-13(8)18)15(20)6-9-11(16)3-2-4-12(9)17/h2-5,7,15H,6,20H2,1H3
InChIKeyJSSDKTQYUHAMAB-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 106866648
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 64713656
2-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 55138858
2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 115844832
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 106857196
1-(2,4-difluoro-5-methylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 79724685
1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 79724225
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethanamine
CID 102858038
2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704202
1-(2,4-difluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 79724876
1-(2,4-difluoro-5-methylphenyl)-3-methylbutan-1-amine
CID 79724390
2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 62600681

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine (CID 115830073) is 2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine is Cc1cc(C(N)Cc2c(Cl)cccc2Cl)c(F)cc1F.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine?
The InChIKey is JSSDKTQYUHAMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2N/c1-8-5-10(14(19)7-13(8)18)15(20)6-9-11(16)3-2-4-12(9)17/h2-5,7,15H,6,20H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine?
2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine has a molecular weight of 316.18 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine is sourced from PubChem (CID 115830073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).