2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine

C15H14ClF2N — CID 102618457

IUPAC2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2cc(F)ccc2Cl)cc1F
InChIInChI=1S/C15H14ClF2N/c1-9-2-3-10(7-14(9)18)15(19)8-11-6-12(17)4-5-13(11)16/h2-7,15H,8,19H2,1H3
InChIKeyPZRLITSLIMTQJI-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.17
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine

2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 102618457) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID102618457
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2cc(F)ccc2Cl)cc1F
InChIInChI=1S/C15H14ClF2N/c1-9-2-3-10(7-14(9)18)15(19)8-11-6-12(17)4-5-13(11)16/h2-7,15H,8,19H2,1H3
InChIKeyPZRLITSLIMTQJI-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

1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995696
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 102618374
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622572
2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 102618763
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373640
1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374267
1-(4-tert-butylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622505
2-(2-chloro-5-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503345
2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 115843687
1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 61078516
(2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 105394677
2-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 55138858

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine (CID 102618457) is 2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine is Cc1ccc(C(N)Cc2cc(F)ccc2Cl)cc1F.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is PZRLITSLIMTQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-9-2-3-10(7-14(9)18)15(19)8-11-6-12(17)4-5-13(11)16/h2-7,15H,8,19H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-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-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 102618457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).