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

C16H17F2N — CID 55194278

IUPAC3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline
SMILESCCC(Nc1cccc(F)c1C)c1ccc(F)cc1
InChIInChI=1S/C16H17F2N/c1-3-15(12-7-9-13(17)10-8-12)19-16-6-4-5-14(18)11(16)2/h4-10,15,19H,3H2,1-2H3
InChIKeyHKLYBWSZIKDCQL-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.84
Rot. Bonds4

About 3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline

3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline (PubChem CID 55194278) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline.

Molecular Properties

Compound Name3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline
PubChem CID55194278
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline
SMILESCCC(Nc1cccc(F)c1C)c1ccc(F)cc1
InChIInChI=1S/C16H17F2N/c1-3-15(12-7-9-13(17)10-8-12)19-16-6-4-5-14(18)11(16)2/h4-10,15,19H,3H2,1-2H3
InChIKeyHKLYBWSZIKDCQL-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

Analyze 3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 43106862
3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676975
2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
CID 43095155
2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline
CID 63453355
3-fluoro-2-methyl-N-(1-phenylpentyl)aniline
CID 63453826
2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 107597224
2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43122613
N-[1-(4-fluorophenyl)propyl]-2-prop-2-enylsulfanylaniline
CID 63449265
N-[1-(4-chlorophenyl)propyl]-2-methyl-3-nitroaniline
CID 43719693
3-bromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 43098307
methyl 2-(3-fluoro-2-methylanilino)butanoate
CID 79118150
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline?
The IUPAC name of 3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline (CID 55194278) is 3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline.
What is the SMILES notation for 3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline?
The canonical SMILES for 3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline is CCC(Nc1cccc(F)c1C)c1ccc(F)cc1.
What is the InChIKey of 3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline?
The InChIKey is HKLYBWSZIKDCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-3-15(12-7-9-13(17)10-8-12)19-16-6-4-5-14(18)11(16)2/h4-10,15,19H,3H2,1-2H3.
What are the key properties of 3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline?
3-fluoro-N-[1-(4-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-(4-fluorophenyl)propyl]-2-methylaniline is sourced from PubChem (CID 55194278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).