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

C13H20N2O — CID 43264634

IUPACN-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
SMILESCN(CCOc1ccc(CN)cc1)C1CC1
InChIInChI=1S/C13H20N2O/c1-15(12-4-5-12)8-9-16-13-6-2-11(10-14)3-7-13/h2-3,6-7,12H,4-5,8-10,14H2,1H3
InChIKeyOYMYQKJKDRHKBU-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.62
Rot. Bonds6

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

N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine (PubChem CID 43264634) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
PubChem CID43264634
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
SMILESCN(CCOc1ccc(CN)cc1)C1CC1
InChIInChI=1S/C13H20N2O/c1-15(12-4-5-12)8-9-16-13-6-2-11(10-14)3-7-13/h2-3,6-7,12H,4-5,8-10,14H2,1H3
InChIKeyOYMYQKJKDRHKBU-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648583
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266888
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine
CID 43253521
N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine
CID 43270088
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
N-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine
CID 102739697
2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290625
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile
CID 43288697
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166233
3-[2-[4-(aminomethyl)phenoxy]ethyl-cyclobutylamino]propan-1-ol
CID 102860586

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine (CID 43264634) is N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine is CN(CCOc1ccc(CN)cc1)C1CC1.
What is the InChIKey of N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine?
The InChIKey is OYMYQKJKDRHKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(12-4-5-12)8-9-16-13-6-2-11(10-14)3-7-13/h2-3,6-7,12H,4-5,8-10,14H2,1H3.
What are the key properties of N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine?
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine has a molecular weight of 220.32 g/mol, XLogP of 1.62, 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)phenoxy]ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 43264634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).