N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline

C17H19F2NO2 — CID 78851352

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline
SMILESCOc1ccc(CNc2cc(C)cc(C)c2)cc1OC(F)F
InChIInChI=1S/C17H19F2NO2/c1-11-6-12(2)8-14(7-11)20-10-13-4-5-15(21-3)16(9-13)22-17(18)19/h4-9,17,20H,10H2,1-3H3
InChIKeyQLZYIFPOYAJDRI-UHFFFAOYSA-N
MW307.34 g/mol
LogP4.53
Rot. Bonds6

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline (PubChem CID 78851352) has the molecular formula C17H19F2NO2 and a molecular weight of 307.34 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline
PubChem CID78851352
Molecular FormulaC17H19F2NO2
Molecular Weight307.34 g/mol
Exact Mass307.14
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline
SMILESCOc1ccc(CNc2cc(C)cc(C)c2)cc1OC(F)F
InChIInChI=1S/C17H19F2NO2/c1-11-6-12(2)8-14(7-11)20-10-13-4-5-15(21-3)16(9-13)22-17(18)19/h4-9,17,20H,10H2,1-3H3
InChIKeyQLZYIFPOYAJDRI-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

3-(difluoromethoxy)-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 43731316
3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 43731334
N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine
CID 78870383
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-ethylpentan-3-amine
CID 65039727
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111244063
3-[3-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]phenyl]propanoic acid
CID 122044374
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640
3,5-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23880433
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79351929
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylcyclopropan-1-amine
CID 115635166
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine
CID 115581156
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide
CID 61212743

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline (CID 78851352) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline is COc1ccc(CNc2cc(C)cc(C)c2)cc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline?
The InChIKey is QLZYIFPOYAJDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO2/c1-11-6-12(2)8-14(7-11)20-10-13-4-5-15(21-3)16(9-13)22-17(18)19/h4-9,17,20H,10H2,1-3H3.
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-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-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline is sourced from PubChem (CID 78851352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).