3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline

C16H17ClFN — CID 107364137

IUPAC3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline
SMILESCCc1ccc(C(C)Nc2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C16H17ClFN/c1-3-12-4-6-13(7-5-12)11(2)19-16-9-14(17)8-15(18)10-16/h4-11,19H,3H2,1-2H3
InChIKeyCUPBBRYZWCJIBB-UHFFFAOYSA-N
MW277.77 g/mol
LogP5.21
Rot. Bonds4

About 3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline

3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline (PubChem CID 107364137) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline
PubChem CID107364137
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline
SMILESCCc1ccc(C(C)Nc2cc(F)cc(Cl)c2)cc1
InChIInChI=1S/C16H17ClFN/c1-3-12-4-6-13(7-5-12)11(2)19-16-9-14(17)8-15(18)10-16/h4-11,19H,3H2,1-2H3
InChIKeyCUPBBRYZWCJIBB-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.77
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline
CID 43108323
N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline
CID 79054943
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43081131
N-[1-(4-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43106541
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107363878
3-chloro-5-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 107363886
4-chloro-N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43721502
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline
CID 43102207
N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline
CID 43106299
N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline?
The IUPAC name of 3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline (CID 107364137) is 3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline?
The canonical SMILES for 3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline is CCc1ccc(C(C)Nc2cc(F)cc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline?
The InChIKey is CUPBBRYZWCJIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-3-12-4-6-13(7-5-12)11(2)19-16-9-14(17)8-15(18)10-16/h4-11,19H,3H2,1-2H3.
What are the key properties of 3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline?
3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline has a molecular weight of 277.77 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline is sourced from PubChem (CID 107364137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).