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

C14H11Cl2F2N — CID 107995788

IUPAC2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11Cl2F2N/c15-10-5-4-8(6-12(10)17)13(19)7-9-2-1-3-11(16)14(9)18/h1-6,13H,7,19H2
InChIKeyRZBUHWGXTKQZMT-UHFFFAOYSA-N
MW302.15 g/mol
LogP4.51
Rot. Bonds3

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

2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine (PubChem CID 107995788) has the molecular formula C14H11Cl2F2N and a molecular weight of 302.15 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
PubChem CID107995788
Molecular FormulaC14H11Cl2F2N
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(Cl)c1F)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11Cl2F2N/c15-10-5-4-8(6-12(10)17)13(19)7-9-2-1-3-11(16)14(9)18/h1-6,13H,7,19H2
InChIKeyRZBUHWGXTKQZMT-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine
CID 107988898
1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107996136
1-(4-bromophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102857503
2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995680
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethanamine
CID 102858038
2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 82806145
2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine
CID 82806691
2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 55095679
1-(4-chloro-3-fluorophenyl)-2-phenylethanamine
CID 107988729
2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethanamine
CID 116545044
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107995783
2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 82789990

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine (CID 107995788) is 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine is NC(Cc1cccc(Cl)c1F)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine?
The InChIKey is RZBUHWGXTKQZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2N/c15-10-5-4-8(6-12(10)17)13(19)7-9-2-1-3-11(16)14(9)18/h1-6,13H,7,19H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine?
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine has a molecular weight of 302.15 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine is sourced from PubChem (CID 107995788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).