1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine

C14H11Cl3FN — CID 107996136

IUPAC1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1Cl)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11Cl3FN/c15-10-5-4-8(6-12(10)18)13(19)7-9-2-1-3-11(16)14(9)17/h1-6,13H,7,19H2
InChIKeyFACVNWBBSMMGAA-UHFFFAOYSA-N
MW318.61 g/mol
LogP5.03
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine

1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine (PubChem CID 107996136) has the molecular formula C14H11Cl3FN and a molecular weight of 318.61 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
PubChem CID107996136
Molecular FormulaC14H11Cl3FN
Molecular Weight318.61 g/mol
Exact Mass316.99
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1Cl)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11Cl3FN/c15-10-5-4-8(6-12(10)18)13(19)7-9-2-1-3-11(16)14(9)17/h1-6,13H,7,19H2
InChIKeyFACVNWBBSMMGAA-UHFFFAOYSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.61
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788
1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine
CID 107988898
[1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethyl]hydrazine
CID 107997442
2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995680
1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 112653947
1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107308364
1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995696
1-(4-chloro-3-fluorophenyl)-2-phenylethanamine
CID 107988729
2-(2,3-dichlorophenyl)-1-quinoxalin-6-ylethanamine
CID 107308633
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 62600681
2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine
CID 112653545

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine (CID 107996136) is 1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine is NC(Cc1cccc(Cl)c1Cl)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine?
The InChIKey is FACVNWBBSMMGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3FN/c15-10-5-4-8(6-12(10)18)13(19)7-9-2-1-3-11(16)14(9)17/h1-6,13H,7,19H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine?
1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine has a molecular weight of 318.61 g/mol, XLogP of 5.03, 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-(2,3-dichlorophenyl)ethanamine is sourced from PubChem (CID 107996136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).