N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine

C13H19FN2O — CID 102739688

IUPACN-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine
SMILESCN(CCOc1ccc(F)cc1CN)C1CC1
InChIInChI=1S/C13H19FN2O/c1-16(12-3-4-12)6-7-17-13-5-2-11(14)8-10(13)9-15/h2,5,8,12H,3-4,6-7,9,15H2,1H3
InChIKeyFIFDYDSFJLXEOC-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.76
Rot. Bonds6

About N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine

N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine (PubChem CID 102739688) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine
PubChem CID102739688
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine
SMILESCN(CCOc1ccc(F)cc1CN)C1CC1
InChIInChI=1S/C13H19FN2O/c1-16(12-3-4-12)6-7-17-13-5-2-11(14)8-10(13)9-15/h2,5,8,12H,3-4,6-7,9,15H2,1H3
InChIKeyFIFDYDSFJLXEOC-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine
CID 114016709
2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline
CID 102739824
[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine
CID 106199490
N-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine
CID 102739697
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-fluorobenzoic acid
CID 102741131
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 64770083
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[5-fluoro-2-(2-propylsulfonylethoxy)phenyl]methanamine
CID 107694959
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-fluorobenzenecarboximidamide
CID 102740175
[2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]methanol
CID 107698691
[5-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
CID 107694623
2-[2-[cyclopropyl(methyl)amino]ethoxy]-6-propoxyaniline
CID 102739820

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine (CID 102739688) is N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine is CN(CCOc1ccc(F)cc1CN)C1CC1.
What is the InChIKey of N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine?
The InChIKey is FIFDYDSFJLXEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16(12-3-4-12)6-7-17-13-5-2-11(14)8-10(13)9-15/h2,5,8,12H,3-4,6-7,9,15H2,1H3.
What are the key properties of N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine?
N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine has a molecular weight of 238.31 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 102739688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).