2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline

C15H14ClF2NO — CID 28967609

IUPAC2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccccc2OC(F)F)c(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c1-10-6-7-13(12(16)8-10)19-9-11-4-2-3-5-14(11)20-15(17)18/h2-8,15,19H,9H2,1H3
InChIKeyOIOOBUAAESHSJS-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.86
Rot. Bonds5

About 2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline

2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline (PubChem CID 28967609) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
PubChem CID28967609
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccccc2OC(F)F)c(Cl)c1
InChIInChI=1S/C15H14ClF2NO/c1-10-6-7-13(12(16)8-10)19-9-11-4-2-3-5-14(11)20-15(17)18/h2-8,15,19H,9H2,1H3
InChIKeyOIOOBUAAESHSJS-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 104726373
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline
CID 60932232
2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43773952
4-bromo-2-chloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43774893
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 81289888
N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline
CID 103585009
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline
CID 79055531
2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol
CID 28967743
3-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylbenzonitrile
CID 62103912
5-bromo-2-[[2-(difluoromethoxy)phenyl]methylamino]benzonitrile
CID 78994094
N-[(2-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 43217892

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline?
The IUPAC name of 2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline (CID 28967609) is 2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline.
What is the SMILES notation for 2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline?
The canonical SMILES for 2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline is Cc1ccc(NCc2ccccc2OC(F)F)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline?
The InChIKey is OIOOBUAAESHSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-10-6-7-13(12(16)8-10)19-9-11-4-2-3-5-14(11)20-15(17)18/h2-8,15,19H,9H2,1H3.
What are the key properties of 2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline?
2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline has a molecular weight of 297.73 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline is sourced from PubChem (CID 28967609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).