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

C16H17ClFN — CID 112676887

IUPAC4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
SMILESCCC(Nc1ccc(Cl)cc1C)c1ccccc1F
InChIInChI=1S/C16H17ClFN/c1-3-15(13-6-4-5-7-14(13)18)19-16-9-8-12(17)10-11(16)2/h4-10,15,19H,3H2,1-2H3
InChIKeyWOZBINBMCNIHPB-UHFFFAOYSA-N
MW277.77 g/mol
LogP5.35
Rot. Bonds4

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

4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline (PubChem CID 112676887) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline.

Molecular Properties

Compound Name4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
PubChem CID112676887
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
SMILESCCC(Nc1ccc(Cl)cc1C)c1ccccc1F
InChIInChI=1S/C16H17ClFN/c1-3-15(13-6-4-5-7-14(13)18)19-16-9-8-12(17)10-11(16)2/h4-10,15,19H,3H2,1-2H3
InChIKeyWOZBINBMCNIHPB-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.77
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
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-bromo-5-chloro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 104722764
N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline
CID 112676883
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676901
3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol
CID 115994318
3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676975
4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline
CID 112677053
N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline
CID 103585203

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline?
The IUPAC name of 4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline (CID 112676887) is 4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline.
What is the SMILES notation for 4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline?
The canonical SMILES for 4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline is CCC(Nc1ccc(Cl)cc1C)c1ccccc1F.
What is the InChIKey of 4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline?
The InChIKey is WOZBINBMCNIHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-3-15(13-6-4-5-7-14(13)18)19-16-9-8-12(17)10-11(16)2/h4-10,15,19H,3H2,1-2H3.
What are the key properties of 4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline?
4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline has a molecular weight of 277.77 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline is sourced from PubChem (CID 112676887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).