2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline

C17H18Cl2FN — CID 83079259

IUPAC2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
SMILESCCc1ccc(C(CC)Nc2c(Cl)cc(F)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2FN/c1-3-11-5-7-12(8-6-11)16(4-2)21-17-14(18)9-13(20)10-15(17)19/h5-10,16,21H,3-4H2,1-2H3
InChIKeyLEDNTVFXBWVYMT-UHFFFAOYSA-N
MW326.24 g/mol
LogP6.26
Rot. Bonds5

About 2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline

2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline (PubChem CID 83079259) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
PubChem CID83079259
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
SMILESCCc1ccc(C(CC)Nc2c(Cl)cc(F)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2FN/c1-3-11-5-7-12(8-6-11)16(4-2)21-17-14(18)9-13(20)10-15(17)19/h5-10,16,21H,3-4H2,1-2H3
InChIKeyLEDNTVFXBWVYMT-UHFFFAOYSA-N
XLogP6.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline
CID 83074821
2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
CID 107610073
2,6-dichloro-4-fluoro-N-(1-phenylpropyl)aniline
CID 83078056
2-chloro-4,6-difluoro-N-(1-phenylpropyl)aniline
CID 83082045
N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline
CID 79054688
2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline
CID 83076818
2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol
CID 107678033
N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
CID 43150469
4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol
CID 43126610
N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline
CID 83081335
N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 107527972
5-bromo-N-[1-(4-ethylphenyl)propyl]-2,4-difluoroaniline
CID 102852685

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline?
The IUPAC name of 2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline (CID 83079259) is 2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline.
What is the SMILES notation for 2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline?
The canonical SMILES for 2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline is CCc1ccc(C(CC)Nc2c(Cl)cc(F)cc2Cl)cc1.
What is the InChIKey of 2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline?
The InChIKey is LEDNTVFXBWVYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-3-11-5-7-12(8-6-11)16(4-2)21-17-14(18)9-13(20)10-15(17)19/h5-10,16,21H,3-4H2,1-2H3.
What are the key properties of 2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline?
2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline has a molecular weight of 326.24 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline is sourced from PubChem (CID 83079259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).