N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline

C16H18FNO2 — CID 62572879

IUPACN-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline
SMILESCCOc1ccccc1OCCNc1cccc(F)c1
InChIInChI=1S/C16H18FNO2/c1-2-19-15-8-3-4-9-16(15)20-11-10-18-14-7-5-6-13(17)12-14/h3-9,12,18H,2,10-11H2,1H3
InChIKeyOCKRRBYZACAPEY-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.72
Rot. Bonds7

About N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline

N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline (PubChem CID 62572879) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline
PubChem CID62572879
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC NameN-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline
SMILESCCOc1ccccc1OCCNc1cccc(F)c1
InChIInChI=1S/C16H18FNO2/c1-2-19-15-8-3-4-9-16(15)20-11-10-18-14-7-5-6-13(17)12-14/h3-9,12,18H,2,10-11H2,1H3
InChIKeyOCKRRBYZACAPEY-UHFFFAOYSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.72
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

3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]aniline
CID 62573032
3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline
CID 63506410
N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
CID 23793082
2-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-5-fluoroaniline
CID 107635868
3-fluoro-N-[2-(2-prop-2-enylphenoxy)ethyl]aniline
CID 62584533
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline
CID 63516051
N-[2-(2-bromo-4-methylphenoxy)ethyl]-3-fluoroaniline
CID 63517825
3-fluoro-N-[2-(2-propoxyethoxy)ethyl]aniline
CID 63685534
3-fluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]aniline
CID 63515360
N-[2-(3,4-dimethylphenoxy)ethyl]-3-fluoroaniline
CID 62571045
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-3-fluoroaniline
CID 107101708
3-bromo-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 55093133

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline?
The IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline (CID 62572879) is N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline.
What is the SMILES notation for N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline?
The canonical SMILES for N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline is CCOc1ccccc1OCCNc1cccc(F)c1.
What is the InChIKey of N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline?
The InChIKey is OCKRRBYZACAPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-2-19-15-8-3-4-9-16(15)20-11-10-18-14-7-5-6-13(17)12-14/h3-9,12,18H,2,10-11H2,1H3.
What are the key properties of N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline?
N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline has a molecular weight of 275.32 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline is sourced from PubChem (CID 62572879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).