N-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline

C16H18FNO — CID 55088214

IUPACN-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline
SMILESCc1cccc(OCCNc2ccc(F)cc2)c1C
InChIInChI=1S/C16H18FNO/c1-12-4-3-5-16(13(12)2)19-11-10-18-15-8-6-14(17)7-9-15/h3-9,18H,10-11H2,1-2H3
InChIKeyAFSAZFRGMOHWIN-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.93
Rot. Bonds5

About N-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline

N-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline (PubChem CID 55088214) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline
PubChem CID55088214
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline
SMILESCc1cccc(OCCNc2ccc(F)cc2)c1C
InChIInChI=1S/C16H18FNO/c1-12-4-3-5-16(13(12)2)19-11-10-18-15-8-6-14(17)7-9-15/h3-9,18H,10-11H2,1-2H3
InChIKeyAFSAZFRGMOHWIN-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(2,3-dimethylphenoxy)ethyl]aniline
CID 55195520
4-fluoro-N-[4-(2-methylphenoxy)butyl]aniline
CID 82095998
N'-(2,3-dimethylphenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 54805514
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
CID 2249838
5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 62455061
N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine
CID 82339438
N-[2-(2,3-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 51065545
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
4-bromo-N-[2-(2,6-dimethylphenoxy)ethyl]aniline
CID 63506215
N-[2-(2-methylphenoxy)ethyl]-4-nitroaniline
CID 60526977
3-chloro-4-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54797567

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline?
The IUPAC name of N-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline (CID 55088214) is N-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline.
What is the SMILES notation for N-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline?
The canonical SMILES for N-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline is Cc1cccc(OCCNc2ccc(F)cc2)c1C.
What is the InChIKey of N-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline?
The InChIKey is AFSAZFRGMOHWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-4-3-5-16(13(12)2)19-11-10-18-15-8-6-14(17)7-9-15/h3-9,18H,10-11H2,1-2H3.
What are the key properties of N-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline?
N-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline has a molecular weight of 259.32 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline is sourced from PubChem (CID 55088214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).