N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine

C13H17F2NO — CID 81269605

IUPACN-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)COc1c(F)cccc1F
InChIInChI=1S/C13H17F2NO/c1-9(7-16-10-5-6-10)8-17-13-11(14)3-2-4-12(13)15/h2-4,9-10,16H,5-8H2,1H3
InChIKeyGVANPVJNHJTFHK-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.73
Rot. Bonds6

About N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine

N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine (PubChem CID 81269605) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine
PubChem CID81269605
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)COc1c(F)cccc1F
InChIInChI=1S/C13H17F2NO/c1-9(7-16-10-5-6-10)8-17-13-11(14)3-2-4-12(13)15/h2-4,9-10,16H,5-8H2,1H3
InChIKeyGVANPVJNHJTFHK-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine
CID 62450901
1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol
CID 83050665
N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine
CID 81268990
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 112654135
N-[3-(2-chlorophenoxy)-2-methylpropyl]cyclopropanamine
CID 62454591
N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine
CID 62484643
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine
CID 114899173
3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propane-1,2-diol
CID 112609791
N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 115953564
N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine
CID 81018611
N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine
CID 112609819
1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 43090638

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine (CID 81269605) is N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine is CC(CNC1CC1)COc1c(F)cccc1F.
What is the InChIKey of N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine?
The InChIKey is GVANPVJNHJTFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-9(7-16-10-5-6-10)8-17-13-11(14)3-2-4-12(13)15/h2-4,9-10,16H,5-8H2,1H3.
What are the key properties of N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine?
N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine has a molecular weight of 241.28 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 81269605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).