2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline

C16H17BrFNO — CID 43119365

IUPAC2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline
SMILESCCOc1ccccc1C(C)Nc1ccc(F)cc1Br
InChIInChI=1S/C16H17BrFNO/c1-3-20-16-7-5-4-6-13(16)11(2)19-15-9-8-12(18)10-14(15)17/h4-11,19H,3H2,1-2H3
InChIKeyKTVHWZPFBHLZIU-UHFFFAOYSA-N
MW338.22 g/mol
LogP5.16
Rot. Bonds5

About 2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline

2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline (PubChem CID 43119365) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline
PubChem CID43119365
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline
SMILESCCOc1ccccc1C(C)Nc1ccc(F)cc1Br
InChIInChI=1S/C16H17BrFNO/c1-3-20-16-7-5-4-6-13(16)11(2)19-15-9-8-12(18)10-14(15)17/h4-11,19H,3H2,1-2H3
InChIKeyKTVHWZPFBHLZIU-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

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Related Compounds

2-bromo-4-chloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 81262643
2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
CID 43119409
N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43111678
3-bromo-4-[1-(2-ethoxyphenyl)ethylamino]benzonitrile
CID 43722768
4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline
CID 43100277
5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555338
N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43194923
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-ethoxyphenyl)ethanamine
CID 61016209
2,6-dibromo-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 107596896
2-bromo-4-fluoro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43772548
1-[2-[(2-bromo-4-fluorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 63499357
N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline
CID 43104673

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline?
The IUPAC name of 2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline (CID 43119365) is 2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline?
The canonical SMILES for 2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline is CCOc1ccccc1C(C)Nc1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline?
The InChIKey is KTVHWZPFBHLZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-3-20-16-7-5-4-6-13(16)11(2)19-15-9-8-12(18)10-14(15)17/h4-11,19H,3H2,1-2H3.
What are the key properties of 2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline?
2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-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 2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 43119365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).