2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine

C16H17F2N — CID 55095211

IUPAC2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
SMILESCCNC(Cc1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C16H17F2N/c1-2-19-15(12-7-4-3-5-8-12)11-13-9-6-10-14(17)16(13)18/h3-10,15,19H,2,11H2,1H3
InChIKeyXYCNRHUYDMFKHF-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.86
Rot. Bonds5

About 2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine

2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine (PubChem CID 55095211) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
PubChem CID55095211
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
SMILESCCNC(Cc1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C16H17F2N/c1-2-19-15(12-7-4-3-5-8-12)11-13-9-6-10-14(17)16(13)18/h3-10,15,19H,2,11H2,1H3
InChIKeyXYCNRHUYDMFKHF-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
CID 104845522
1-(2-bromophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 62603943
2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 115805148
1-(2-bromo-6-fluorophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 114559964
1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 106854724
N-ethyl-3-(2-fluorophenyl)-1-phenylpropan-1-amine
CID 54891295
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 63412021
2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
CID 105026123
2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105137731
1-(5-chloro-2-methylphenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 82871396

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine (CID 55095211) is 2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine is CCNC(Cc1cccc(F)c1F)c1ccccc1.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine?
The InChIKey is XYCNRHUYDMFKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-2-19-15(12-7-4-3-5-8-12)11-13-9-6-10-14(17)16(13)18/h3-10,15,19H,2,11H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine?
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine has a molecular weight of 261.31 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine is sourced from PubChem (CID 55095211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).