N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine

C13H18FNO2 — CID 103228211

IUPACN-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine
SMILESCOCC(CNC1CC1)Oc1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-16-9-11(8-15-10-6-7-10)17-13-5-3-2-4-12(13)14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyBDJSJMIWEJJHJQ-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.97
Rot. Bonds7

About N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine

N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine (PubChem CID 103228211) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine
PubChem CID103228211
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine
SMILESCOCC(CNC1CC1)Oc1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-16-9-11(8-15-10-6-7-10)17-13-5-3-2-4-12(13)14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyBDJSJMIWEJJHJQ-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methoxy-2-[(2-methyl-3-pyridinyl)oxy]propyl]cyclopropanamine
CID 103228870
N-(3-methoxy-2-naphthalen-2-yloxypropyl)cyclopropanamine
CID 103228378
N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228332
N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228884
N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine
CID 103228649
N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine
CID 114676931
N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 55083352
N-[2-[(2-fluorophenyl)methyl]-6-methoxyhexyl]cyclopropanamine
CID 104649264
N-[2-(2-fluorophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183708
N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine
CID 81269605
N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55077634
N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine
CID 104530610

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine?
The IUPAC name of N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine (CID 103228211) is N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine is COCC(CNC1CC1)Oc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine?
The InChIKey is BDJSJMIWEJJHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-9-11(8-15-10-6-7-10)17-13-5-3-2-4-12(13)14/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine?
N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine has a molecular weight of 239.29 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine is sourced from PubChem (CID 103228211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).