2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline

C16H17ClFNO — CID 107527481

IUPAC2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline
SMILESCCOc1ccc(C(C)Nc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C16H17ClFNO/c1-3-20-14-7-4-12(5-8-14)11(2)19-16-10-13(18)6-9-15(16)17/h4-11,19H,3H2,1-2H3
InChIKeyDPIQZNZWPBYTQF-UHFFFAOYSA-N
MW293.77 g/mol
LogP5.05
Rot. Bonds5

About 2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline

2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline (PubChem CID 107527481) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline
PubChem CID107527481
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline
SMILESCCOc1ccc(C(C)Nc2cc(F)ccc2Cl)cc1
InChIInChI=1S/C16H17ClFNO/c1-3-20-14-7-4-12(5-8-14)11(2)19-16-10-13(18)6-9-15(16)17/h4-11,19H,3H2,1-2H3
InChIKeyDPIQZNZWPBYTQF-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

2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 83078344
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline
CID 43721449
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline
CID 104726016
2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107527068
2,5-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43108494
2,5-difluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43103926
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 24575226
4-[1-(2-ethoxy-4-fluoroanilino)ethyl]phenol
CID 43730123
5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 60935115
2-chloro-5-fluoro-N-pentan-2-ylaniline
CID 107527281
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451342

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline?
The IUPAC name of 2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline (CID 107527481) is 2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline.
What is the SMILES notation for 2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline?
The canonical SMILES for 2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline is CCOc1ccc(C(C)Nc2cc(F)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline?
The InChIKey is DPIQZNZWPBYTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-3-20-14-7-4-12(5-8-14)11(2)19-16-10-13(18)6-9-15(16)17/h4-11,19H,3H2,1-2H3.
What are the key properties of 2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline?
2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-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 2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline is sourced from PubChem (CID 107527481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).