N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline

C16H17ClFN — CID 43102207

IUPACN-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline
SMILESCCc1ccc(NC(C)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H17ClFN/c1-3-12-4-7-14(8-5-12)19-11(2)13-6-9-16(18)15(17)10-13/h4-11,19H,3H2,1-2H3
InChIKeyCDEXMWMOLKNWTO-UHFFFAOYSA-N
MW277.77 g/mol
LogP5.21
Rot. Bonds4

About N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline

N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline (PubChem CID 43102207) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline
PubChem CID43102207
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline
SMILESCCc1ccc(NC(C)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H17ClFN/c1-3-12-4-7-14(8-5-12)19-11(2)13-6-9-16(18)15(17)10-13/h4-11,19H,3H2,1-2H3
InChIKeyCDEXMWMOLKNWTO-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

4-chloro-N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43721502
N-[1-(4-butylphenyl)ethyl]-3-chloro-4-fluoroaniline
CID 43119123
4-[1-(3-chloro-4-fluorophenyl)ethylamino]benzoic acid
CID 43321605
3-chloro-N-[1-(4-ethylphenyl)ethyl]-5-fluoroaniline
CID 107364137
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60942913
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3,4-dimethoxyaniline
CID 43108298
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43100313
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107700001
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline
CID 43108323
5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107705381
2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43104033
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643726

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline (CID 43102207) is N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline is CCc1ccc(NC(C)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline?
The InChIKey is CDEXMWMOLKNWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-3-12-4-7-14(8-5-12)19-11(2)13-6-9-16(18)15(17)10-13/h4-11,19H,3H2,1-2H3.
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline?
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline 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 N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline is sourced from PubChem (CID 43102207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).