2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline

C16H17F2N — CID 112676899

IUPAC2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
SMILESCCC(Nc1ccc(C)cc1F)c1ccccc1F
InChIInChI=1S/C16H17F2N/c1-3-15(12-6-4-5-7-13(12)17)19-16-9-8-11(2)10-14(16)18/h4-10,15,19H,3H2,1-2H3
InChIKeyILHNIKBYMXLDFA-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.84
Rot. Bonds4

About 2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline

2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline (PubChem CID 112676899) has the molecular formula C16H17F2N and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
PubChem CID112676899
Molecular FormulaC16H17F2N
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC Name2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
SMILESCCC(Nc1ccc(C)cc1F)c1ccccc1F
InChIInChI=1S/C16H17F2N/c1-3-15(12-6-4-5-7-13(12)17)19-16-9-8-11(2)10-14(16)18/h4-10,15,19H,3H2,1-2H3
InChIKeyILHNIKBYMXLDFA-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-[1-(2-fluorophenyl)propyl]-5-methylaniline
CID 112676903
N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline
CID 112676883
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
2-fluoro-4-methyl-N-(1-phenylpropyl)aniline
CID 43114235
4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676887
3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676975
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
2-[1-(2-fluoro-5-methylanilino)propyl]phenol
CID 43122748
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676901
4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline
CID 112677053
4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol
CID 106953694
3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol
CID 115994318

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline?
The IUPAC name of 2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline (CID 112676899) is 2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline.
What is the SMILES notation for 2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline?
The canonical SMILES for 2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline is CCC(Nc1ccc(C)cc1F)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline?
The InChIKey is ILHNIKBYMXLDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-3-15(12-6-4-5-7-13(12)17)19-16-9-8-11(2)10-14(16)18/h4-10,15,19H,3H2,1-2H3.
What are the key properties of 2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline?
2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline has a molecular weight of 261.32 g/mol, XLogP of 4.84, 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]-4-methylaniline is sourced from PubChem (CID 112676899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).