2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine

C15H14ClF2N — CID 114855471

IUPAC2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1C(N)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H14ClF2N/c1-9-2-5-12(17)8-13(9)15(19)6-10-3-4-11(16)7-14(10)18/h2-5,7-8,15H,6,19H2,1H3
InChIKeyKJQBGTPXBCZYLY-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.17
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine

2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 114855471) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID114855471
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1C(N)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H14ClF2N/c1-9-2-5-12(17)8-13(9)15(19)6-10-3-4-11(16)7-14(10)18/h2-5,7-8,15H,6,19H2,1H3
InChIKeyKJQBGTPXBCZYLY-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 114855662
1-(2,4-dichlorophenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050988
[1-(5-chloro-2-methylphenyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105291913
2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 105055258
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 55095442
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610
1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 114885798
1,2-bis(4-fluoro-2-methylphenyl)ethanamine
CID 114348216
2-(2,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607142
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine (CID 114855471) is 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine is Cc1ccc(F)cc1C(N)Cc1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is KJQBGTPXBCZYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-9-2-5-12(17)8-13(9)15(19)6-10-3-4-11(16)7-14(10)18/h2-5,7-8,15H,6,19H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine?
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 114855471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).