N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline

C16H15Cl2F2N — CID 103585203

IUPACN-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline
SMILESCCC(Nc1cc(F)c(C)cc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2F2N/c1-3-15(11-5-4-10(17)7-12(11)18)21-16-8-13(19)9(2)6-14(16)20/h4-8,15,21H,3H2,1-2H3
InChIKeyDRRWLJRMGHJBHU-UHFFFAOYSA-N
MW330.21 g/mol
LogP6.14
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline

N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline (PubChem CID 103585203) has the molecular formula C16H15Cl2F2N and a molecular weight of 330.21 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline
PubChem CID103585203
Molecular FormulaC16H15Cl2F2N
Molecular Weight330.21 g/mol
Exact Mass329.05
IUPAC NameN-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline
SMILESCCC(Nc1cc(F)c(C)cc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2F2N/c1-3-15(11-5-4-10(17)7-12(11)18)21-16-8-13(19)9(2)6-14(16)20/h4-8,15,21H,3H2,1-2H3
InChIKeyDRRWLJRMGHJBHU-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

5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline
CID 43503301
N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline
CID 82799478
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline
CID 107527392
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline
CID 63445541
N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285
4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676887
4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline
CID 65468515
4-bromo-2-[1-(2,5-difluoro-4-methylanilino)propyl]phenol
CID 103584719

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline (CID 103585203) is N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline is CCC(Nc1cc(F)c(C)cc1F)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline?
The InChIKey is DRRWLJRMGHJBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2F2N/c1-3-15(11-5-4-10(17)7-12(11)18)21-16-8-13(19)9(2)6-14(16)20/h4-8,15,21H,3H2,1-2H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline?
N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-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]-2,5-difluoro-4-methylaniline is sourced from PubChem (CID 103585203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).