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

C16H17F2N — CID 112676975

IUPAC3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
SMILESCCC(Nc1cccc(F)c1C)c1ccccc1F
InChIInChI=1S/C16H17F2N/c1-3-15(12-7-4-5-8-14(12)18)19-16-10-6-9-13(17)11(16)2/h4-10,15,19H,3H2,1-2H3
InChIKeyYJYJBEDVLAZTRL-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.84
Rot. Bonds4

About 3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline

3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline (PubChem CID 112676975) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline.

Molecular Properties

Compound Name3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
PubChem CID112676975
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
SMILESCCC(Nc1cccc(F)c1C)c1ccccc1F
InChIInChI=1S/C16H17F2N/c1-3-15(12-7-4-5-8-14(12)18)19-16-10-6-9-13(17)11(16)2/h4-10,15,19H,3H2,1-2H3
InChIKeyYJYJBEDVLAZTRL-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 ≤ 500261.31
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol
CID 115994318
3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 55194278
2-fluoro-N-[1-(2-fluorophenyl)propyl]-5-methylaniline
CID 112676903
2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 112676899
N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline
CID 112676883
4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676887
4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol
CID 106953694
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676901
4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline
CID 112677053

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline?
The IUPAC name of 3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline (CID 112676975) is 3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline.
What is the SMILES notation for 3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline?
The canonical SMILES for 3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline is CCC(Nc1cccc(F)c1C)c1ccccc1F.
What is the InChIKey of 3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline?
The InChIKey is YJYJBEDVLAZTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-3-15(12-7-4-5-8-14(12)18)19-16-10-6-9-13(17)11(16)2/h4-10,15,19H,3H2,1-2H3.
What are the key properties of 3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline?
3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline has a molecular weight of 261.31 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 3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline is sourced from PubChem (CID 112676975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).