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

C16H17BrFNO — CID 43555338

IUPAC5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
SMILESCCOc1ccccc1C(C)Nc1cc(Br)ccc1F
InChIInChI=1S/C16H17BrFNO/c1-3-20-16-7-5-4-6-13(16)11(2)19-15-10-12(17)8-9-14(15)18/h4-11,19H,3H2,1-2H3
InChIKeyLXAVEXUKZQRKSL-UHFFFAOYSA-N
MW338.22 g/mol
LogP5.16
Rot. Bonds5

About 5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline

5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline (PubChem CID 43555338) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
PubChem CID43555338
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
SMILESCCOc1ccccc1C(C)Nc1cc(Br)ccc1F
InChIInChI=1S/C16H17BrFNO/c1-3-20-16-7-5-4-6-13(16)11(2)19-15-10-12(17)8-9-14(15)18/h4-11,19H,3H2,1-2H3
InChIKeyLXAVEXUKZQRKSL-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.22
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43194923
4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline
CID 43100277
2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 43119365
2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 81262643
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43111678
5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43555398
N-[1-(2,4-dibromophenyl)ethyl]-2-ethoxyaniline
CID 60781271
N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline
CID 82963216
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-ethoxy-4-methylaniline
CID 82964942
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline
CID 43729543
N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline
CID 43104673

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline?
The IUPAC name of 5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline (CID 43555338) is 5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline.
What is the SMILES notation for 5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline?
The canonical SMILES for 5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline is CCOc1ccccc1C(C)Nc1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline?
The InChIKey is LXAVEXUKZQRKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-3-20-16-7-5-4-6-13(16)11(2)19-15-10-12(17)8-9-14(15)18/h4-11,19H,3H2,1-2H3.
What are the key properties of 5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline?
5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline has a molecular weight of 338.22 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline is sourced from PubChem (CID 43555338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).