N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline

C16H15Cl2F2N — CID 82799478

IUPACN-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline
SMILESCCC(Nc1c(F)ccc(C)c1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2F2N/c1-3-14(11-6-5-10(17)8-12(11)18)21-16-13(19)7-4-9(2)15(16)20/h4-8,14,21H,3H2,1-2H3
InChIKeyVRMFRIAOUZDCEL-UHFFFAOYSA-N
MW330.21 g/mol
LogP6.14
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline

N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline (PubChem CID 82799478) has the molecular formula C16H15Cl2F2N and a molecular weight of 330.21 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline
PubChem CID82799478
Molecular FormulaC16H15Cl2F2N
Molecular Weight330.21 g/mol
Exact Mass329.05
IUPAC NameN-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline
SMILESCCC(Nc1c(F)ccc(C)c1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2F2N/c1-3-14(11-6-5-10(17)8-12(11)18)21-16-13(19)7-4-9(2)15(16)20/h4-8,14,21H,3H2,1-2H3
InChIKeyVRMFRIAOUZDCEL-UHFFFAOYSA-N
XLogP6.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.21
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline
CID 43503301
4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline
CID 65468515
2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline
CID 107598199
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline
CID 103585203
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285
N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline
CID 107527392
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907
4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
CID 64794999
N-[1-(2,4-dichlorophenyl)propyl]-4-methylsulfanylaniline
CID 43503298

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline (CID 82799478) is N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline is CCC(Nc1c(F)ccc(C)c1F)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline?
The InChIKey is VRMFRIAOUZDCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2N/c1-3-14(11-6-5-10(17)8-12(11)18)21-16-13(19)7-4-9(2)15(16)20/h4-8,14,21H,3H2,1-2H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline?
N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline has a molecular weight of 330.21 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline is sourced from PubChem (CID 82799478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).