2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine

C14H11F4N — CID 55095679

IUPAC2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1F)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F4N/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
InChIKeyUBYZJSILSBLSAL-UHFFFAOYSA-N
MW269.24 g/mol
LogP3.49
Rot. Bonds3

About 2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine

2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine (PubChem CID 55095679) has the molecular formula C14H11F4N and a molecular weight of 269.24 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine
PubChem CID55095679
Molecular FormulaC14H11F4N
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC Name2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1F)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F4N/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
InChIKeyUBYZJSILSBLSAL-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 53.49
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
2-(2,3-difluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503218
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788
1-(5-bromothiophen-3-yl)-2-(2,3-difluorophenyl)ethanamine
CID 105137743
2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine
CID 62606426
2-(2,6-dichlorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 62600681
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine
CID 105020699
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373640
2-(2-fluoro-3-methoxyphenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 104793765
1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine
CID 62600642
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
2-(2,3-difluorophenyl)-1-naphthalen-1-ylethanamine
CID 62715879

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine (CID 55095679) is 2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine is NC(Cc1cccc(F)c1F)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine?
The InChIKey is UBYZJSILSBLSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N/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-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine?
2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine has a molecular weight of 269.24 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine is sourced from PubChem (CID 55095679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).