1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine

C15H14Cl2FN — CID 105050988

IUPAC1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2FN/c1-9-6-12(18)4-2-10(9)7-15(19)13-5-3-11(16)8-14(13)17/h2-6,8,15H,7,19H2,1H3
InChIKeyFFZVXQBALZZYAK-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.68
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine

1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 105050988) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID105050988
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CC(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2FN/c1-9-6-12(18)4-2-10(9)7-15(19)13-5-3-11(16)8-14(13)17/h2-6,8,15H,7,19H2,1H3
InChIKeyFFZVXQBALZZYAK-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 114855471
1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 114855662
1-(4-bromo-2-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114906223
2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115840484
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 61077601
[2-(2,4-dichlorophenyl)-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105200119
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051267
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 55095442

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine (CID 105050988) is 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1CC(N)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is FFZVXQBALZZYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-9-6-12(18)4-2-10(9)7-15(19)13-5-3-11(16)8-14(13)17/h2-6,8,15H,7,19H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine?
1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 298.19 g/mol, XLogP of 4.68, 3 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-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105050988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).