N-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline

C16H18FNO — CID 54798286

IUPACN-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline
SMILESCc1ccc(C)c(OCCNc2ccccc2F)c1
InChIInChI=1S/C16H18FNO/c1-12-7-8-13(2)16(11-12)19-10-9-18-15-6-4-3-5-14(15)17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyVTRKZBYLETYWDL-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.93
Rot. Bonds5

About N-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline

N-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline (PubChem CID 54798286) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline
PubChem CID54798286
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline
SMILESCc1ccc(C)c(OCCNc2ccccc2F)c1
InChIInChI=1S/C16H18FNO/c1-12-7-8-13(2)16(11-12)19-10-9-18-15-6-4-3-5-14(15)17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyVTRKZBYLETYWDL-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

N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline
CID 54798120
N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline
CID 54796581
3-chloro-N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoroaniline
CID 54798350
N-[2-(4-bromo-3-methylphenoxy)ethyl]-2-fluoroaniline
CID 83141086
N-[2-(4-bromo-2,5-dichlorophenoxy)ethyl]-2-fluoroaniline
CID 107661382
2-fluoro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505393
3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 7927608
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate
CID 46789645
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
N-[3-(2-chloro-5-methylphenoxy)propyl]aniline
CID 62597720
N-[2-(2,5-dimethylphenoxy)ethyl]-4-(2-phenylethoxy)aniline
CID 54800205
N-[2-(2,4-dimethylphenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802500

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline (CID 54798286) is N-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline is Cc1ccc(C)c(OCCNc2ccccc2F)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline?
The InChIKey is VTRKZBYLETYWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-7-8-13(2)16(11-12)19-10-9-18-15-6-4-3-5-14(15)17/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of N-[2-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline?
N-[2-(2,5-dimethylphenoxy)ethyl]-2-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-(2,5-dimethylphenoxy)ethyl]-2-fluoroaniline is sourced from PubChem (CID 54798286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).