N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine

C15H15F2N — CID 63989003

IUPACN-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(-c2cccc(F)c2F)c1
InChIInChI=1S/C15H15F2N/c1-2-18-10-11-5-3-6-12(9-11)13-7-4-8-14(16)15(13)17/h3-9,18H,2,10H2,1H3
InChIKeyZBRDGLGPYGFXKZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.74
Rot. Bonds4

About N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine

N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine (PubChem CID 63989003) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine
PubChem CID63989003
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(-c2cccc(F)c2F)c1
InChIInChI=1S/C15H15F2N/c1-2-18-10-11-5-3-6-12(9-11)13-7-4-8-14(16)15(13)17/h3-9,18H,2,10H2,1H3
InChIKeyZBRDGLGPYGFXKZ-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine
CID 62963734
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 107514099
N-[[3-(3,5-difluorophenyl)phenyl]methyl]ethanamine
CID 54911880
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 113324415
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
N-[[3-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 54911742
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine
CID 81447039
N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
CID 62492408
N-[[4-(3-chlorophenyl)-3-fluorophenyl]methyl]ethanamine
CID 81447435
N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine
CID 79601644
N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine
CID 115502833
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine (CID 63989003) is N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine is CCNCc1cccc(-c2cccc(F)c2F)c1.
What is the InChIKey of N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine?
The InChIKey is ZBRDGLGPYGFXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-2-18-10-11-5-3-6-12(9-11)13-7-4-8-14(16)15(13)17/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine?
N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine has a molecular weight of 247.29 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63989003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).