N-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline

C16H17F2NO2 — CID 43677844

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H17F2NO2/c1-20-11-13-4-2-3-5-15(13)19-10-12-6-8-14(9-7-12)21-16(17)18/h2-9,16,19H,10-11H2,1H3
InChIKeyMOVKYOXKWJIUPR-UHFFFAOYSA-N
MW293.31 g/mol
LogP4.05
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline

N-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline (PubChem CID 43677844) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline
PubChem CID43677844
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H17F2NO2/c1-20-11-13-4-2-3-5-15(13)19-10-12-6-8-14(9-7-12)21-16(17)18/h2-9,16,19H,10-11H2,1H3
InChIKeyMOVKYOXKWJIUPR-UHFFFAOYSA-N
XLogP4.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(methoxymethyl)aniline
CID 43677932
2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 43677797
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(ethoxymethyl)aniline
CID 78883027
N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline
CID 62121796
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 111288026
2-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]aniline
CID 75385082
N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 60874269
4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 28623945
N-(2-fluoroethyl)-2-(methoxymethyl)aniline
CID 80695014
N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline
CID 43677929
2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline
CID 62699918
4-[[2-(methoxymethyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202753

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline (CID 43677844) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline is COCc1ccccc1NCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline?
The InChIKey is MOVKYOXKWJIUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-20-11-13-4-2-3-5-15(13)19-10-12-6-8-14(9-7-12)21-16(17)18/h2-9,16,19H,10-11H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline has a molecular weight of 293.31 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(methoxymethyl)aniline is sourced from PubChem (CID 43677844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).