5-fluoro-2-(3-methoxypropoxy)aniline

C10H14FNO2 — CID 26189645

IUPAC5-fluoro-2-(3-methoxypropoxy)aniline
SMILESCOCCCOc1ccc(F)cc1N
InChIInChI=1S/C10H14FNO2/c1-13-5-2-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyUHVHSAWCZQZXDP-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.82
Rot. Bonds5

About 5-fluoro-2-(3-methoxypropoxy)aniline

5-fluoro-2-(3-methoxypropoxy)aniline (PubChem CID 26189645) has the molecular formula C10H14FNO2 and a molecular weight of 199.23 g/mol. Its IUPAC name is 5-fluoro-2-(3-methoxypropoxy)aniline.

Molecular Properties

Compound Name5-fluoro-2-(3-methoxypropoxy)aniline
PubChem CID26189645
Molecular FormulaC10H14FNO2
Molecular Weight199.23 g/mol
Exact Mass199.10
IUPAC Name5-fluoro-2-(3-methoxypropoxy)aniline
SMILESCOCCCOc1ccc(F)cc1N
InChIInChI=1S/C10H14FNO2/c1-13-5-2-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyUHVHSAWCZQZXDP-UHFFFAOYSA-N
XLogP1.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-fluoro-2-(3-methoxypropoxy)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methoxypropoxy)aniline?
The IUPAC name of 5-fluoro-2-(3-methoxypropoxy)aniline (CID 26189645) is 5-fluoro-2-(3-methoxypropoxy)aniline.
What is the SMILES notation for 5-fluoro-2-(3-methoxypropoxy)aniline?
The canonical SMILES for 5-fluoro-2-(3-methoxypropoxy)aniline is COCCCOc1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-(3-methoxypropoxy)aniline?
The InChIKey is UHVHSAWCZQZXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-13-5-2-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of 5-fluoro-2-(3-methoxypropoxy)aniline?
5-fluoro-2-(3-methoxypropoxy)aniline has a molecular weight of 199.23 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methoxypropoxy)aniline is sourced from PubChem (CID 26189645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).