2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline

C15H15F2N — CID 112676866

IUPAC2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
SMILESCCC(Nc1ccccc1F)c1ccccc1F
InChIInChI=1S/C15H15F2N/c1-2-14(11-7-3-4-8-12(11)16)18-15-10-6-5-9-13(15)17/h3-10,14,18H,2H2,1H3
InChIKeyVXAUFGFQFSFVLT-UHFFFAOYSA-N
MW247.29 g/mol
LogP4.53
Rot. Bonds4

About 2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline

2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline (PubChem CID 112676866) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
PubChem CID112676866
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
SMILESCCC(Nc1ccccc1F)c1ccccc1F
InChIInChI=1S/C15H15F2N/c1-2-14(11-7-3-4-8-12(11)16)18-15-10-6-5-9-13(15)17/h3-10,14,18H,2H2,1H3
InChIKeyVXAUFGFQFSFVLT-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676975
2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 112676899
2-fluoro-N-[1-(2-fluorophenyl)propyl]-5-methylaniline
CID 112676903
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline
CID 112676883
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676887
4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline
CID 112677053
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676901
4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol
CID 106953694
3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol
CID 115994318
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline?
The IUPAC name of 2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline (CID 112676866) is 2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline.
What is the SMILES notation for 2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline?
The canonical SMILES for 2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline is CCC(Nc1ccccc1F)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline?
The InChIKey is VXAUFGFQFSFVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-2-14(11-7-3-4-8-12(11)16)18-15-10-6-5-9-13(15)17/h3-10,14,18H,2H2,1H3.
What are the key properties of 2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline?
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline has a molecular weight of 247.29 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline is sourced from PubChem (CID 112676866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).