N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine

C15H23F2NO2 — CID 82007119

IUPACN-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(OCCOCC(F)F)c1
InChIInChI=1S/C15H23F2NO2/c1-15(2,3)18-10-12-5-4-6-13(9-12)20-8-7-19-11-14(16)17/h4-6,9,14,18H,7-8,10-11H2,1-3H3
InChIKeyZEFZICVHTNUWKY-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.24
Rot. Bonds8

About N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine

N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 82007119) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID82007119
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC NameN-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(OCCOCC(F)F)c1
InChIInChI=1S/C15H23F2NO2/c1-15(2,3)18-10-12-5-4-6-13(9-12)20-8-7-19-11-14(16)17/h4-6,9,14,18H,7-8,10-11H2,1-3H3
InChIKeyZEFZICVHTNUWKY-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62444557
2-[2-[3-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
CID 63058258
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
2-methyl-N-[[3-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-2-amine
CID 64553938
4-[3-[(tert-butylamino)methyl]phenoxy]butan-2-ol
CID 113398854
2-methyl-N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471605
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine
CID 60922910
2-methyl-N-[[3-(2-methylpentoxy)phenyl]methyl]propan-2-amine
CID 55192326
2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62438277
N-[(3-hept-6-enoxyphenyl)methyl]-2-methylpropan-2-amine
CID 107006178
2-(2,2-difluoroethoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103081182

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine (CID 82007119) is N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cccc(OCCOCC(F)F)c1.
What is the InChIKey of N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZEFZICVHTNUWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-15(2,3)18-10-12-5-4-6-13(9-12)20-8-7-19-11-14(16)17/h4-6,9,14,18H,7-8,10-11H2,1-3H3.
What are the key properties of N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 287.35 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82007119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).