N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline

C18H21F2NO3 — CID 78883027

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C18H21F2NO3/c1-3-23-12-14-6-4-5-7-15(14)21-11-13-8-9-16(22-2)17(10-13)24-18(19)20/h4-10,18,21H,3,11-12H2,1-2H3
InChIKeyGVCMGDRHGJTEHW-UHFFFAOYSA-N
MW337.37 g/mol
LogP4.45
Rot. Bonds9

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline (PubChem CID 78883027) has the molecular formula C18H21F2NO3 and a molecular weight of 337.37 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline
PubChem CID78883027
Molecular FormulaC18H21F2NO3
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C18H21F2NO3/c1-3-23-12-14-6-4-5-7-15(14)21-11-13-8-9-16(22-2)17(10-13)24-18(19)20/h4-10,18,21H,3,11-12H2,1-2H3
InChIKeyGVCMGDRHGJTEHW-UHFFFAOYSA-N
XLogP4.45
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43235541
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline
CID 43677844
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline
CID 78851352
2-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]aniline
CID 75385082
4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol
CID 79832570
N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline
CID 43750279
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-ethylpentan-3-amine
CID 65039727
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea
CID 38326796
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylcyclopropan-1-amine
CID 115635166
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine
CID 115581156
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline
CID 900370
N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline
CID 79968881

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline (CID 78883027) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline is CCOCc1ccccc1NCc1ccc(OC)c(OC(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline?
The InChIKey is GVCMGDRHGJTEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO3/c1-3-23-12-14-6-4-5-7-15(14)21-11-13-8-9-16(22-2)17(10-13)24-18(19)20/h4-10,18,21H,3,11-12H2,1-2H3.
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline has a molecular weight of 337.37 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline is sourced from PubChem (CID 78883027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).