N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline

C17H20FN — CID 112676883

IUPACN-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline
SMILESCCC(Nc1cc(C)ccc1C)c1ccccc1F
InChIInChI=1S/C17H20FN/c1-4-16(14-7-5-6-8-15(14)18)19-17-11-12(2)9-10-13(17)3/h5-11,16,19H,4H2,1-3H3
InChIKeyNWVZZANACGZTIB-UHFFFAOYSA-N
MW257.35 g/mol
LogP5.01
Rot. Bonds4

About N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline

N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline (PubChem CID 112676883) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline
PubChem CID112676883
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline
SMILESCCC(Nc1cc(C)ccc1C)c1ccccc1F
InChIInChI=1S/C17H20FN/c1-4-16(14-7-5-6-8-15(14)18)19-17-11-12(2)9-10-13(17)3/h5-11,16,19H,4H2,1-3H3
InChIKeyNWVZZANACGZTIB-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.35
LogP ≤ 55.01
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
2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 112676899
4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol
CID 106953694
2-[1-(2-fluoro-5-methylanilino)propyl]phenol
CID 43122748
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676887
3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol
CID 115994318
3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676975
2-bromo-5-chloro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 104722764
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline
CID 112677053
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676901

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline?
The IUPAC name of N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline (CID 112676883) is N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline?
The canonical SMILES for N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline is CCC(Nc1cc(C)ccc1C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline?
The InChIKey is NWVZZANACGZTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-4-16(14-7-5-6-8-15(14)18)19-17-11-12(2)9-10-13(17)3/h5-11,16,19H,4H2,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline?
N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline has a molecular weight of 257.35 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline is sourced from PubChem (CID 112676883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).