4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline

C14H15FN2O — CID 55093405

IUPAC4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline
SMILESCc1ccc(OCCNc2ccc(F)cc2)cn1
InChIInChI=1S/C14H15FN2O/c1-11-2-7-14(10-17-11)18-9-8-16-13-5-3-12(15)4-6-13/h2-7,10,16H,8-9H2,1H3
InChIKeyFDXZABNKNUBXNM-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.02
Rot. Bonds5

About 4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline

4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline (PubChem CID 55093405) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline
PubChem CID55093405
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline
SMILESCc1ccc(OCCNc2ccc(F)cc2)cn1
InChIInChI=1S/C14H15FN2O/c1-11-2-7-14(10-17-11)18-9-8-16-13-5-3-12(15)4-6-13/h2-7,10,16H,8-9H2,1H3
InChIKeyFDXZABNKNUBXNM-UHFFFAOYSA-N
XLogP3.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline
CID 55092712
N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline
CID 62785083
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 62584388
4-[2-(4-fluoroanilino)ethoxy]benzonitrile
CID 134030965
N-(4-fluorophenyl)-6-methylpyridin-3-amine
CID 141340358
5-butoxy-2-methylpyridine
CID 13154052
N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 55073143
2-ethoxy-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 62583085
N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine
CID 133469091
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline?
The IUPAC name of 4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline (CID 55093405) is 4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline?
The canonical SMILES for 4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline is Cc1ccc(OCCNc2ccc(F)cc2)cn1.
What is the InChIKey of 4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline?
The InChIKey is FDXZABNKNUBXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-11-2-7-14(10-17-11)18-9-8-16-13-5-3-12(15)4-6-13/h2-7,10,16H,8-9H2,1H3.
What are the key properties of 4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline?
4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline has a molecular weight of 246.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline is sourced from PubChem (CID 55093405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).