N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline

C17H19F2NO2 — CID 78883616

IUPACN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline
SMILESCOc1cccc(CNc2ccc(C)c(C)c2)c1OC(F)F
InChIInChI=1S/C17H19F2NO2/c1-11-7-8-14(9-12(11)2)20-10-13-5-4-6-15(21-3)16(13)22-17(18)19/h4-9,17,20H,10H2,1-3H3
InChIKeyVTEPWQDLOPGSFJ-UHFFFAOYSA-N
MW307.34 g/mol
LogP4.53
Rot. Bonds6

About N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline

N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline (PubChem CID 78883616) has the molecular formula C17H19F2NO2 and a molecular weight of 307.34 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline
PubChem CID78883616
Molecular FormulaC17H19F2NO2
Molecular Weight307.34 g/mol
Exact Mass307.14
IUPAC NameN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline
SMILESCOc1cccc(CNc2ccc(C)c(C)c2)c1OC(F)F
InChIInChI=1S/C17H19F2NO2/c1-11-7-8-14(9-12(11)2)20-10-13-5-4-6-15(21-3)16(13)22-17(18)19/h4-9,17,20H,10H2,1-3H3
InChIKeyVTEPWQDLOPGSFJ-UHFFFAOYSA-N
XLogP4.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline
CID 62810743
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-4-methoxyaniline
CID 43380507
N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
CID 784077
4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylaniline
CID 104791781
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-ethoxyethanamine
CID 43627884
2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol
CID 43698991
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine
CID 60810315
6-bromo-N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 122157326
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethylpentan-2-amine
CID 63842094
methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate
CID 43726123
1-N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43406346

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline?
The IUPAC name of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline (CID 78883616) is N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline?
The canonical SMILES for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline is COc1cccc(CNc2ccc(C)c(C)c2)c1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline?
The InChIKey is VTEPWQDLOPGSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO2/c1-11-7-8-14(9-12(11)2)20-10-13-5-4-6-15(21-3)16(13)22-17(18)19/h4-9,17,20H,10H2,1-3H3.
What are the key properties of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline?
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline has a molecular weight of 307.34 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline is sourced from PubChem (CID 78883616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).