N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline

C16H18FNO — CID 43194923

IUPACN-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
SMILESCCOc1ccccc1C(C)Nc1ccccc1F
InChIInChI=1S/C16H18FNO/c1-3-19-16-11-7-4-8-13(16)12(2)18-15-10-6-5-9-14(15)17/h4-12,18H,3H2,1-2H3
InChIKeyLXJKMYKLKBHXCX-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.40
Rot. Bonds5

About N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline

N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline (PubChem CID 43194923) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
PubChem CID43194923
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
SMILESCCOc1ccccc1C(C)Nc1ccccc1F
InChIInChI=1S/C16H18FNO/c1-3-19-16-11-7-4-8-13(16)12(2)18-15-10-6-5-9-14(15)17/h4-12,18H,3H2,1-2H3
InChIKeyLXJKMYKLKBHXCX-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555338
N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43111678
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline
CID 60935431
2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 43119365
N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43190017
2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 81262643
N-[1-(2-ethoxyphenyl)ethyl]quinolin-5-amine
CID 43823792
N-[1-(2-ethoxyphenyl)ethyl]-4-methylsulfanylaniline
CID 43192292
4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline
CID 43100277
2,6-dibromo-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 107596896
N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline
CID 43104673

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline?
The IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline (CID 43194923) is N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline?
The canonical SMILES for N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline is CCOc1ccccc1C(C)Nc1ccccc1F.
What is the InChIKey of N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline?
The InChIKey is LXJKMYKLKBHXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-19-16-11-7-4-8-13(16)12(2)18-15-10-6-5-9-14(15)17/h4-12,18H,3H2,1-2H3.
What are the key properties of N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline?
N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline has a molecular weight of 259.32 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline is sourced from PubChem (CID 43194923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).