1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine

C16H16F3N — CID 43565905

IUPAC1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1cccc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F3N/c1-11(13-5-6-15(18)16(19)10-13)20-8-7-12-3-2-4-14(17)9-12/h2-6,9-11,20H,7-8H2,1H3
InChIKeyIUYQYDMRQHQGBA-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.00
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine

1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine (PubChem CID 43565905) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
PubChem CID43565905
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1cccc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F3N/c1-11(13-5-6-15(18)16(19)10-13)20-8-7-12-3-2-4-14(17)9-12/h2-6,9-11,20H,7-8H2,1H3
InChIKeyIUYQYDMRQHQGBA-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine
CID 43178590
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43401433
1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
CID 62604981
1-(4-ethylphenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565881
1-(4-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565956
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045
N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 43565886
(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 28645160
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682654
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
N-[2-(3-fluorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83117836
N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43221580

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine (CID 43565905) is 1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine is CC(NCCc1cccc(F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine?
The InChIKey is IUYQYDMRQHQGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-11(13-5-6-15(18)16(19)10-13)20-8-7-12-3-2-4-14(17)9-12/h2-6,9-11,20H,7-8H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine?
1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine has a molecular weight of 279.31 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 43565905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).