2-[2-(2-fluoroethoxy)ethyl]aniline

C10H14FNO — CID 102902179

IUPAC2-[2-(2-fluoroethoxy)ethyl]aniline
SMILESNc1ccccc1CCOCCF
InChIInChI=1S/C10H14FNO/c11-6-8-13-7-5-9-3-1-2-4-10(9)12/h1-4H,5-8,12H2
InChIKeyKCJYNJCBLFQXTD-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.80
Rot. Bonds5

About 2-[2-(2-fluoroethoxy)ethyl]aniline

2-[2-(2-fluoroethoxy)ethyl]aniline (PubChem CID 102902179) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-[2-(2-fluoroethoxy)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(2-fluoroethoxy)ethyl]aniline
PubChem CID102902179
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-[2-(2-fluoroethoxy)ethyl]aniline
SMILESNc1ccccc1CCOCCF
InChIInChI=1S/C10H14FNO/c11-6-8-13-7-5-9-3-1-2-4-10(9)12/h1-4H,5-8,12H2
InChIKeyKCJYNJCBLFQXTD-UHFFFAOYSA-N
XLogP1.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.80
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'}

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Related Compounds

2-(2-ethoxyethyl)aniline
CID 14619442
2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline
CID 102902193
2-[2-[(2-chloro-4-fluorophenyl)methoxy]ethyl]aniline
CID 102902199
2-(2-aminoethyl)aniline;ethane
CID 90745291
2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline
CID 107878129
6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile
CID 106708323
2-(2-pentan-3-yloxyethyl)aniline
CID 102902683
2-[2-(3,4-difluorophenoxy)ethyl]aniline
CID 62497603
2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)ethyl]aniline
CID 102902166
2-(aminomethyl)aniline;hydrochloride
CID 69170371
1-ethyl-2-[2-[2-(2-ethylphenyl)ethoxy]ethyl]benzene
CID 139601615
2-[2-(2,3-dimethylphenoxy)ethyl]aniline
CID 55079573

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroethoxy)ethyl]aniline?
The IUPAC name of 2-[2-(2-fluoroethoxy)ethyl]aniline (CID 102902179) is 2-[2-(2-fluoroethoxy)ethyl]aniline.
What is the SMILES notation for 2-[2-(2-fluoroethoxy)ethyl]aniline?
The canonical SMILES for 2-[2-(2-fluoroethoxy)ethyl]aniline is Nc1ccccc1CCOCCF.
What is the InChIKey of 2-[2-(2-fluoroethoxy)ethyl]aniline?
The InChIKey is KCJYNJCBLFQXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c11-6-8-13-7-5-9-3-1-2-4-10(9)12/h1-4H,5-8,12H2.
What are the key properties of 2-[2-(2-fluoroethoxy)ethyl]aniline?
2-[2-(2-fluoroethoxy)ethyl]aniline has a molecular weight of 183.23 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroethoxy)ethyl]aniline is sourced from PubChem (CID 102902179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).