2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline

C17H18ClF2N — CID 83074821

IUPAC2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline
SMILESCCc1ccc(C(CC)Nc2c(F)cc(F)cc2Cl)cc1
InChIInChI=1S/C17H18ClF2N/c1-3-11-5-7-12(8-6-11)16(4-2)21-17-14(18)9-13(19)10-15(17)20/h5-10,16,21H,3-4H2,1-2H3
InChIKeyBVWXSYJOVJVZDV-UHFFFAOYSA-N
MW309.79 g/mol
LogP5.74
Rot. Bonds5

About 2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline

2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline (PubChem CID 83074821) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline
PubChem CID83074821
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline
SMILESCCc1ccc(C(CC)Nc2c(F)cc(F)cc2Cl)cc1
InChIInChI=1S/C17H18ClF2N/c1-3-11-5-7-12(8-6-11)16(4-2)21-17-14(18)9-13(19)10-15(17)20/h5-10,16,21H,3-4H2,1-2H3
InChIKeyBVWXSYJOVJVZDV-UHFFFAOYSA-N
XLogP5.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.79
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
CID 83079259
2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
CID 107610073
2-chloro-4,6-difluoro-N-(1-phenylpropyl)aniline
CID 83082045
2,6-dichloro-4-fluoro-N-(1-phenylpropyl)aniline
CID 83078056
N-[1-(3-bromophenyl)propyl]-2-chloro-4,6-difluoroaniline
CID 83081335
N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline
CID 79054688
5-bromo-N-[1-(4-ethylphenyl)propyl]-2,4-difluoroaniline
CID 102852685
2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
CID 43095155
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
CID 43150469
2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol
CID 107678033
4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol
CID 43126610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline?
The IUPAC name of 2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline (CID 83074821) is 2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline.
What is the SMILES notation for 2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline?
The canonical SMILES for 2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline is CCc1ccc(C(CC)Nc2c(F)cc(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline?
The InChIKey is BVWXSYJOVJVZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N/c1-3-11-5-7-12(8-6-11)16(4-2)21-17-14(18)9-13(19)10-15(17)20/h5-10,16,21H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline?
2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline has a molecular weight of 309.79 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-ethylphenyl)propyl]-4,6-difluoroaniline is sourced from PubChem (CID 83074821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).