N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine

C13H19F2NO — CID 112610199

IUPACN-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cccc(CNC(C)(C)C)c1OC(F)F
InChIInChI=1S/C13H19F2NO/c1-9-6-5-7-10(8-16-13(2,3)4)11(9)17-12(14)15/h5-7,12,16H,8H2,1-4H3
InChIKeyVJPGLIADCZGQRF-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.48
Rot. Bonds4

About N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine

N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 112610199) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
PubChem CID112610199
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC NameN-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cccc(CNC(C)(C)C)c1OC(F)F
InChIInChI=1S/C13H19F2NO/c1-9-6-5-7-10(8-16-13(2,3)4)11(9)17-12(14)15/h5-7,12,16H,8H2,1-4H3
InChIKeyVJPGLIADCZGQRF-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608407
N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 112610168
N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610179
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 112610190
N-[(2-heptoxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 115954178
5-[2-[(tert-butylamino)methyl]-6-methylphenoxy]pentanenitrile
CID 115954209
2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471737
methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 112610174
propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 115954250
N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 60760457
N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610162
N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 63059393

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine (CID 112610199) is N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine is Cc1cccc(CNC(C)(C)C)c1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is VJPGLIADCZGQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-9-6-5-7-10(8-16-13(2,3)4)11(9)17-12(14)15/h5-7,12,16H,8H2,1-4H3.
What are the key properties of N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 243.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 112610199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).