4-fluoro-N-(1-phenylethyl)aniline

C14H14FN — CID 569525

IUPAC4-fluoro-N-(1-phenylethyl)aniline
SMILESCC(Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H14FN/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h2-11,16H,1H3
InChIKeyNASFPNSCUMQAOD-UHFFFAOYSA-N
MW215.27 g/mol
LogP4.00
Rot. Bonds3

About 4-fluoro-N-(1-phenylethyl)aniline

4-fluoro-N-(1-phenylethyl)aniline (PubChem CID 569525) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-fluoro-N-(1-phenylethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(1-phenylethyl)aniline
PubChem CID569525
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name4-fluoro-N-(1-phenylethyl)aniline
SMILESCC(Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H14FN/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h2-11,16H,1H3
InChIKeyNASFPNSCUMQAOD-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-phenylethyl)aniline?
The IUPAC name of 4-fluoro-N-(1-phenylethyl)aniline (CID 569525) is 4-fluoro-N-(1-phenylethyl)aniline.
What is the SMILES notation for 4-fluoro-N-(1-phenylethyl)aniline?
The canonical SMILES for 4-fluoro-N-(1-phenylethyl)aniline is CC(Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 4-fluoro-N-(1-phenylethyl)aniline?
The InChIKey is NASFPNSCUMQAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h2-11,16H,1H3.
What are the key properties of 4-fluoro-N-(1-phenylethyl)aniline?
4-fluoro-N-(1-phenylethyl)aniline has a molecular weight of 215.27 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-phenylethyl)aniline is sourced from PubChem (CID 569525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).