3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline

C14H13F2N — CID 43178604

IUPAC3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
SMILESCC(Nc1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C14H13F2N/c1-10(11-5-7-12(15)8-6-11)17-14-4-2-3-13(16)9-14/h2-10,17H,1H3
InChIKeyQAIWTMRFXSRZSS-UHFFFAOYSA-N
MW233.26 g/mol
LogP4.14
Rot. Bonds3

About 3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline

3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline (PubChem CID 43178604) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is 3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
PubChem CID43178604
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC Name3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
SMILESCC(Nc1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C14H13F2N/c1-10(11-5-7-12(15)8-6-11)17-14-4-2-3-13(16)9-14/h2-10,17H,1H3
InChIKeyQAIWTMRFXSRZSS-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline
CID 43099103
3-ethynyl-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43189639
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline
CID 43194273
3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43094821
N-[1-(4-fluorophenyl)ethyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43692006
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-fluoroaniline
CID 43194239
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-fluoroaniline
CID 43194260
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43081131

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline?
The IUPAC name of 3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline (CID 43178604) is 3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline?
The canonical SMILES for 3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline is CC(Nc1cccc(F)c1)c1ccc(F)cc1.
What is the InChIKey of 3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline?
The InChIKey is QAIWTMRFXSRZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c1-10(11-5-7-12(15)8-6-11)17-14-4-2-3-13(16)9-14/h2-10,17H,1H3.
What are the key properties of 3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline?
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline has a molecular weight of 233.26 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 43178604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).