N-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine

C13H18F2N2O — CID 102739697

IUPACN-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine
SMILESCN(CCOc1c(F)cc(CN)cc1F)C1CC1
InChIInChI=1S/C13H18F2N2O/c1-17(10-2-3-10)4-5-18-13-11(14)6-9(8-16)7-12(13)15/h6-7,10H,2-5,8,16H2,1H3
InChIKeyHGTBVMPFFMFZNE-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.90
Rot. Bonds6

About N-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine

N-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine (PubChem CID 102739697) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine
PubChem CID102739697
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine
SMILESCN(CCOc1c(F)cc(CN)cc1F)C1CC1
InChIInChI=1S/C13H18F2N2O/c1-17(10-2-3-10)4-5-18-13-11(14)6-9(8-16)7-12(13)15/h6-7,10H,2-5,8,16H2,1H3
InChIKeyHGTBVMPFFMFZNE-UHFFFAOYSA-N
XLogP1.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[cyclopropyl(methyl)amino]ethoxy]-3,5-difluorobenzenecarboximidamide
CID 102740176
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine
CID 102739688
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
[3,5-difluoro-4-(4-methoxybutoxy)phenyl]methanamine
CID 104647126
4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline
CID 63052124
2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline
CID 102739824
3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide
CID 79886312
[3,5-difluoro-4-(4-methylpentoxy)phenyl]methanamine
CID 81294772
2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-ethoxy-5-fluoroaniline
CID 102739879
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822
N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine
CID 114016709

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine (CID 102739697) is N-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine is CN(CCOc1c(F)cc(CN)cc1F)C1CC1.
What is the InChIKey of N-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine?
The InChIKey is HGTBVMPFFMFZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-17(10-2-3-10)4-5-18-13-11(14)6-9(8-16)7-12(13)15/h6-7,10H,2-5,8,16H2,1H3.
What are the key properties of N-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine?
N-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine has a molecular weight of 256.30 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 102739697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).