5-fluoro-2-(hexoxymethyl)aniline

C13H20FNO — CID 64768637

IUPAC5-fluoro-2-(hexoxymethyl)aniline
SMILESCCCCCCOCc1ccc(F)cc1N
InChIInChI=1S/C13H20FNO/c1-2-3-4-5-8-16-10-11-6-7-12(14)9-13(11)15/h6-7,9H,2-5,8,10,15H2,1H3
InChIKeyKUDOYENFBGEYPM-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.50
Rot. Bonds7

About 5-fluoro-2-(hexoxymethyl)aniline

5-fluoro-2-(hexoxymethyl)aniline (PubChem CID 64768637) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 5-fluoro-2-(hexoxymethyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(hexoxymethyl)aniline
PubChem CID64768637
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name5-fluoro-2-(hexoxymethyl)aniline
SMILESCCCCCCOCc1ccc(F)cc1N
InChIInChI=1S/C13H20FNO/c1-2-3-4-5-8-16-10-11-6-7-12(14)9-13(11)15/h6-7,9H,2-5,8,10,15H2,1H3
InChIKeyKUDOYENFBGEYPM-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-(hexoxymethyl)aniline 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-fluoro-2-(octoxymethyl)aniline
CID 43382254
4-(hexadecoxymethyl)benzene-1,3-diamine
CID 139899146
[5-fluoro-2-(hexoxymethyl)phenyl]methanamine
CID 63289474
2,5-bis(octoxymethyl)benzene-1,4-diamine
CID 100995766
3-amino-4-(heptoxymethyl)benzamide
CID 43376790
4-fluoro-2-octoxyaniline
CID 43128998
4-bromo-2-fluoro-1-(heptoxymethyl)benzene
CID 63457543
3-fluoro-5-(octoxymethyl)aniline
CID 112646497
3-(hexoxymethyl)-4-methoxyaniline
CID 43134692
2-(butoxymethyl)-5-fluorobenzenecarboximidamide
CID 63291033
1,4-difluoro-2-hexoxybenzene
CID 23437312
4-fluoro-2-heptylaniline
CID 67191637

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(hexoxymethyl)aniline?
The IUPAC name of 5-fluoro-2-(hexoxymethyl)aniline (CID 64768637) is 5-fluoro-2-(hexoxymethyl)aniline.
What is the SMILES notation for 5-fluoro-2-(hexoxymethyl)aniline?
The canonical SMILES for 5-fluoro-2-(hexoxymethyl)aniline is CCCCCCOCc1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-(hexoxymethyl)aniline?
The InChIKey is KUDOYENFBGEYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-2-3-4-5-8-16-10-11-6-7-12(14)9-13(11)15/h6-7,9H,2-5,8,10,15H2,1H3.
What are the key properties of 5-fluoro-2-(hexoxymethyl)aniline?
5-fluoro-2-(hexoxymethyl)aniline has a molecular weight of 225.31 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(hexoxymethyl)aniline is sourced from PubChem (CID 64768637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).