N-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine

C13H18F3NO — CID 82006977

IUPACN-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine
SMILESCC(C)NCC(OCC(F)F)c1ccccc1F
InChIInChI=1S/C13H18F3NO/c1-9(2)17-7-12(18-8-13(15)16)10-5-3-4-6-11(10)14/h3-6,9,12-13,17H,7-8H2,1-2H3
InChIKeyYROONVQRWUBPCT-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.15
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine

N-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine (PubChem CID 82006977) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine
PubChem CID82006977
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine
SMILESCC(C)NCC(OCC(F)F)c1ccccc1F
InChIInChI=1S/C13H18F3NO/c1-9(2)17-7-12(18-8-13(15)16)10-5-3-4-6-11(10)14/h3-6,9,12-13,17H,7-8H2,1-2H3
InChIKeyYROONVQRWUBPCT-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine
CID 82004110
N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 62383669
N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine
CID 62108651
N-[2-cycloheptyl-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 82933173
2-(2-fluorophenyl)-N-methyl-2-propoxyethanamine
CID 62108186
2-(2-fluorophenyl)-3-(furan-2-yl)-N-propan-2-ylpropan-1-amine
CID 79439686
N-[2-(2-fluorophenyl)-2-(3-methylbutoxy)ethyl]-2-methylpropan-2-amine
CID 62107937
N-[2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
CID 106449233
(2R)-2-(2-fluorophenyl)-2-methoxy-N-methylethanamine
CID 94355994
N-[2-(2-methoxyethoxy)-2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 62108685
3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 79434390
N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine
CID 62108356

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine (CID 82006977) is N-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine is CC(C)NCC(OCC(F)F)c1ccccc1F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is YROONVQRWUBPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-9(2)17-7-12(18-8-13(15)16)10-5-3-4-6-11(10)14/h3-6,9,12-13,17H,7-8H2,1-2H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine?
N-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 261.29 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 82006977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).