1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine

C14H12Cl2FN — CID 107988757

IUPAC1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H12Cl2FN/c15-11-4-1-9(2-5-11)7-14(18)10-3-6-12(16)13(17)8-10/h1-6,8,14H,7,18H2
InChIKeyWJTSHEAQBGNMEY-UHFFFAOYSA-N
MW284.16 g/mol
LogP4.38
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine

1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine (PubChem CID 107988757) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
PubChem CID107988757
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H12Cl2FN/c15-11-4-1-9(2-5-11)7-14(18)10-3-6-12(16)13(17)8-10/h1-6,8,14H,7,18H2
InChIKeyWJTSHEAQBGNMEY-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
1-(4-chloro-3-fluorophenyl)-2-phenylethanamine
CID 107988729
2-(4-tert-butylphenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107992613
2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995680
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885076
4-[1-bromo-2-(4-chlorophenyl)ethyl]-1-chloro-2-fluorobenzene
CID 107993413
1-(4-chloro-3-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 107988738
2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
CID 54941560
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanamine
CID 103214534
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 103043039
1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine
CID 115566630
2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995163

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine (CID 107988757) is 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine is NC(Cc1ccc(Cl)cc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine?
The InChIKey is WJTSHEAQBGNMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c15-11-4-1-9(2-5-11)7-14(18)10-3-6-12(16)13(17)8-10/h1-6,8,14H,7,18H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine?
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine has a molecular weight of 284.16 g/mol, XLogP of 4.38, 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-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 107988757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).