2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline

C15H13Cl2F2NO — CID 104726373

IUPAC2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
SMILESCc1cc(Cl)c(NCc2ccccc2OC(F)F)cc1Cl
InChIInChI=1S/C15H13Cl2F2NO/c1-9-6-12(17)13(7-11(9)16)20-8-10-4-2-3-5-14(10)21-15(18)19/h2-7,15,20H,8H2,1H3
InChIKeyYPFKWKGYJHNNSU-UHFFFAOYSA-N
MW332.18 g/mol
LogP5.52
Rot. Bonds5

About 2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline

2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline (PubChem CID 104726373) has the molecular formula C15H13Cl2F2NO and a molecular weight of 332.18 g/mol. Its IUPAC name is 2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
PubChem CID104726373
Molecular FormulaC15H13Cl2F2NO
Molecular Weight332.18 g/mol
Exact Mass331.03
IUPAC Name2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
SMILESCc1cc(Cl)c(NCc2ccccc2OC(F)F)cc1Cl
InChIInChI=1S/C15H13Cl2F2NO/c1-9-6-12(17)13(7-11(9)16)20-8-10-4-2-3-5-14(10)21-15(18)19/h2-7,15,20H,8H2,1H3
InChIKeyYPFKWKGYJHNNSU-UHFFFAOYSA-N
XLogP5.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.18
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 28967609
2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline
CID 104726385
N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline
CID 103585009
2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline
CID 104792082
2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol
CID 104726382
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline
CID 60932232
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
3-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylbenzonitrile
CID 62103912
2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43773952
3-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3449670
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline
CID 79055531
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline
CID 60924885

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline?
The IUPAC name of 2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline (CID 104726373) is 2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline.
What is the SMILES notation for 2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline?
The canonical SMILES for 2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline is Cc1cc(Cl)c(NCc2ccccc2OC(F)F)cc1Cl.
What is the InChIKey of 2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline?
The InChIKey is YPFKWKGYJHNNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2NO/c1-9-6-12(17)13(7-11(9)16)20-8-10-4-2-3-5-14(10)21-15(18)19/h2-7,15,20H,8H2,1H3.
What are the key properties of 2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline?
2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline has a molecular weight of 332.18 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline is sourced from PubChem (CID 104726373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).