1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine

C11H15F2NO — CID 105468433

IUPAC1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine
SMILESCNC(C)C(F)(F)c1ccccc1OC
InChIInChI=1S/C11H15F2NO/c1-8(14-2)11(12,13)9-6-4-5-7-10(9)15-3/h4-8,14H,1-3H3
InChIKeyCXYBOEDZBWGJGM-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.39
Rot. Bonds4

About 1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine

1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine (PubChem CID 105468433) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine
PubChem CID105468433
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine
SMILESCNC(C)C(F)(F)c1ccccc1OC
InChIInChI=1S/C11H15F2NO/c1-8(14-2)11(12,13)9-6-4-5-7-10(9)15-3/h4-8,14H,1-3H3
InChIKeyCXYBOEDZBWGJGM-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390
3-(2-methoxyphenyl)-N-methylpentan-3-amine
CID 163486951
2-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782
1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954416
N-[difluoro-(2-methoxyphenyl)methyl]-N-ethylethanamine
CID 10082529
O-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]hydroxylamine
CID 115022771
3-(2-methoxyphenyl)penta-1,4-diyn-3-ol
CID 11056360
1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine
CID 57164596
N-ethyl-4-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 64718083

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine (CID 105468433) is 1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine is CNC(C)C(F)(F)c1ccccc1OC.
What is the InChIKey of 1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine?
The InChIKey is CXYBOEDZBWGJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-8(14-2)11(12,13)9-6-4-5-7-10(9)15-3/h4-8,14H,1-3H3.
What are the key properties of 1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine?
1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine has a molecular weight of 215.24 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(2-methoxyphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 105468433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).