N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine

C12H20N2O — CID 141109153

IUPACN-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine
SMILESCCNCCOc1cccc(CNC)c1
InChIInChI=1S/C12H20N2O/c1-3-14-7-8-15-12-6-4-5-11(9-12)10-13-2/h4-6,9,13-14H,3,7-8,10H2,1-2H3
InChIKeyOAAYJEWUPAGBDP-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.39
Rot. Bonds7

About N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine

N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine (PubChem CID 141109153) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine
PubChem CID141109153
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine
SMILESCCNCCOc1cccc(CNC)c1
InChIInChI=1S/C12H20N2O/c1-3-14-7-8-15-12-6-4-5-11(9-12)10-13-2/h4-6,9,13-14H,3,7-8,10H2,1-2H3
InChIKeyOAAYJEWUPAGBDP-UHFFFAOYSA-N
XLogP1.39
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
ethane;N-methyl-2-(3-propylphenoxy)ethanamine
CID 142327682
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702363
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 62416994
difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen
CID 145483741
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 55074867
3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324546
3-(3-ethoxyphenoxy)-N-ethylpropan-1-amine
CID 62337478

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine?
The IUPAC name of N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine (CID 141109153) is N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine is CCNCCOc1cccc(CNC)c1.
What is the InChIKey of N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine?
The InChIKey is OAAYJEWUPAGBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-14-7-8-15-12-6-4-5-11(9-12)10-13-2/h4-6,9,13-14H,3,7-8,10H2,1-2H3.
What are the key properties of N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine?
N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine has a molecular weight of 208.31 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine is sourced from PubChem (CID 141109153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).