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

C15H14ClF2N — CID 107995696

IUPAC1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14ClF2N/c1-9-2-4-12(17)6-11(9)8-15(19)10-3-5-13(16)14(18)7-10/h2-7,15H,8,19H2,1H3
InChIKeyJCVIILNPCMSOQP-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.17
Rot. Bonds3

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

1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 107995696) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID107995696
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14ClF2N/c1-9-2-4-12(17)6-11(9)8-15(19)10-3-5-13(16)14(18)7-10/h2-7,15H,8,19H2,1H3
InChIKeyJCVIILNPCMSOQP-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-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 102618457
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-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995692
2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 115843687
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622572
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 102618374
2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995680
2-(5-fluoro-2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 105373838
1-(2,6-dichlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376936
1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107996136

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine (CID 107995696) is 1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine is Cc1ccc(F)cc1CC(N)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is JCVIILNPCMSOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-9-2-4-12(17)6-11(9)8-15(19)10-3-5-13(16)14(18)7-10/h2-7,15H,8,19H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
1-(4-chloro-3-fluorophenyl)-2-(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 1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 107995696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).