N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline

C17H19F2NO — CID 60924885

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NCc1ccccc1OC(F)F
InChIInChI=1S/C17H19F2NO/c1-3-13-9-6-7-12(2)16(13)20-11-14-8-4-5-10-15(14)21-17(18)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyGJRRLDXENZXFHP-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.77
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline

N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline (PubChem CID 60924885) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline
PubChem CID60924885
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NCc1ccccc1OC(F)F
InChIInChI=1S/C17H19F2NO/c1-3-13-9-6-7-12(2)16(13)20-11-14-8-4-5-10-15(14)21-17(18)19/h4-10,17,20H,3,11H2,1-2H3
InChIKeyGJRRLDXENZXFHP-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60711287
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 81289888
N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline
CID 103585009
2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 104726373
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline
CID 79055531
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-nitroaniline
CID 78883004
N-[[2-(difluoromethoxy)phenyl]methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 103933926
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
1-(difluoromethoxy)-2-ethyl-3-methylbenzene
CID 118269125
N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide
CID 66417086

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline (CID 60924885) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline is CCc1cccc(C)c1NCc1ccccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline?
The InChIKey is GJRRLDXENZXFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-13-9-6-7-12(2)16(13)20-11-14-8-4-5-10-15(14)21-17(18)19/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline?
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline has a molecular weight of 291.34 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline is sourced from PubChem (CID 60924885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).