4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline

C16H17ClFNO — CID 43721449

IUPAC4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline
SMILESCCOc1ccc(C(C)Nc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C16H17ClFNO/c1-3-20-14-7-4-12(5-8-14)11(2)19-13-6-9-15(17)16(18)10-13/h4-11,19H,3H2,1-2H3
InChIKeyGASMXKPRQUMWJJ-UHFFFAOYSA-N
MW293.77 g/mol
LogP5.05
Rot. Bonds5

About 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline

4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline (PubChem CID 43721449) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline
PubChem CID43721449
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline
SMILESCCOc1ccc(C(C)Nc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C16H17ClFNO/c1-3-20-14-7-4-12(5-8-14)11(2)19-13-6-9-15(17)16(18)10-13/h4-11,19H,3H2,1-2H3
InChIKeyGASMXKPRQUMWJJ-UHFFFAOYSA-N
XLogP5.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.77
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43721459
4-chloro-N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43721502
N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline
CID 43721439
2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline
CID 107527481
2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 83078344
3,4-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43101196
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-ethoxyaniline
CID 43757906
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 60943275
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylaniline
CID 43093553
4-bromo-3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 65437836
4-chloro-3-fluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43721457

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline?
The IUPAC name of 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline (CID 43721449) is 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline.
What is the SMILES notation for 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline?
The canonical SMILES for 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline is CCOc1ccc(C(C)Nc2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline?
The InChIKey is GASMXKPRQUMWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-3-20-14-7-4-12(5-8-14)11(2)19-13-6-9-15(17)16(18)10-13/h4-11,19H,3H2,1-2H3.
What are the key properties of 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline?
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline has a molecular weight of 293.77 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline is sourced from PubChem (CID 43721449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).