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

C16H17F2NO — CID 114871894

IUPAC4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline
SMILESCCC(Nc1ccc(F)c(OC)c1)c1cccc(F)c1
InChIInChI=1S/C16H17F2NO/c1-3-15(11-5-4-6-12(17)9-11)19-13-7-8-14(18)16(10-13)20-2/h4-10,15,19H,3H2,1-2H3
InChIKeyOJKIBCYZJQQMCT-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.54
Rot. Bonds5

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

4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline (PubChem CID 114871894) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline
PubChem CID114871894
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline
SMILESCCC(Nc1ccc(F)c(OC)c1)c1cccc(F)c1
InChIInChI=1S/C16H17F2NO/c1-3-15(11-5-4-6-12(17)9-11)19-13-7-8-14(18)16(10-13)20-2/h4-10,15,19H,3H2,1-2H3
InChIKeyOJKIBCYZJQQMCT-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline 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

4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871801
4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871024
N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935
2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide
CID 114871265
4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline
CID 114870959
4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871220
4-bromo-3-methoxy-N-(1-phenylpropyl)aniline
CID 82857891
N-[1-(3-chlorophenyl)propyl]-4-methoxy-3-methylaniline
CID 63455500
5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol
CID 43743809
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838027
N-[1-(3-bromophenyl)propyl]-3-chloro-4-methoxyaniline
CID 43758118
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline?
The IUPAC name of 4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline (CID 114871894) is 4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline.
What is the SMILES notation for 4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline?
The canonical SMILES for 4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline is CCC(Nc1ccc(F)c(OC)c1)c1cccc(F)c1.
What is the InChIKey of 4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline?
The InChIKey is OJKIBCYZJQQMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-3-15(11-5-4-6-12(17)9-11)19-13-7-8-14(18)16(10-13)20-2/h4-10,15,19H,3H2,1-2H3.
What are the key properties of 4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline?
4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline has a molecular weight of 277.31 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline is sourced from PubChem (CID 114871894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).