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

C14H11Cl3FN — CID 81454060

IUPAC1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)c1cccc(F)c1Cl
InChIInChI=1S/C14H11Cl3FN/c15-10-5-4-8(6-11(10)16)7-13(19)9-2-1-3-12(18)14(9)17/h1-6,13H,7,19H2
InChIKeyJCYFYOBAQHSJOF-UHFFFAOYSA-N
MW318.61 g/mol
LogP5.03
Rot. Bonds3

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

1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine (PubChem CID 81454060) has the molecular formula C14H11Cl3FN and a molecular weight of 318.61 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
PubChem CID81454060
Molecular FormulaC14H11Cl3FN
Molecular Weight318.61 g/mol
Exact Mass316.99
IUPAC Name1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)c1cccc(F)c1Cl
InChIInChI=1S/C14H11Cl3FN/c15-10-5-4-8(6-11(10)16)7-13(19)9-2-1-3-12(18)14(9)17/h1-6,13H,7,19H2
InChIKeyJCYFYOBAQHSJOF-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-(3,4-dichlorophenyl)-1-(2,6-difluorophenyl)ethanamine
CID 63044768
1-(2-chloro-3-fluorophenyl)-2-pyridin-4-ylethanamine
CID 81454296
1-(4-chloro-2-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55188144
1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438
1-(2-chloro-3-fluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894454
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 107885313
(1S)-1-(2-chloro-3-fluorophenyl)propane-1,3-diamine
CID 171222588
1-(2,3-dichlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829955
4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 55225048
1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107892584
1-(3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55139269

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine (CID 81454060) is 1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine is NC(Cc1ccc(Cl)c(Cl)c1)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine?
The InChIKey is JCYFYOBAQHSJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3FN/c15-10-5-4-8(6-11(10)16)7-13(19)9-2-1-3-12(18)14(9)17/h1-6,13H,7,19H2.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine?
1-(2-chloro-3-fluorophenyl)-2-(3,4-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-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 81454060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).