N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine

C13H22N2O2 — CID 123710934

IUPACN-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine
SMILESCNCCOc1cc(C)cc(OCCNC)c1
InChIInChI=1S/C13H22N2O2/c1-11-8-12(16-6-4-14-2)10-13(9-11)17-7-5-15-3/h8-10,14-15H,4-7H2,1-3H3
InChIKeyLXOCIVYLDJJLON-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.19
Rot. Bonds8

About N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine

N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine (PubChem CID 123710934) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine
PubChem CID123710934
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine
SMILESCNCCOc1cc(C)cc(OCCNC)c1
InChIInChI=1S/C13H22N2O2/c1-11-8-12(16-6-4-14-2)10-13(9-11)17-7-5-15-3/h8-10,14-15H,4-7H2,1-3H3
InChIKeyLXOCIVYLDJJLON-UHFFFAOYSA-N
XLogP1.19
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010528
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
3-(3,5-dimethylphenoxy)-N-ethylpropan-1-amine
CID 28878857
1,3-bis(2-chloroethoxy)-5-methylbenzene
CID 86221036
[3-ethoxy-5-[2-(methylamino)ethoxy]phenyl]methanol
CID 71228112
N-methyl-2-(3,4,5-trimethoxyphenoxy)ethanamine
CID 14053540
1-butoxy-3-methoxy-5-methylbenzene
CID 118268625
N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine
CID 82353159
1-butoxy-3,5-dimethylbenzene;methanamine
CID 142103581
1-[2-(3,5-dimethylphenoxy)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 110917591
2-[2-(3,5-dimethylphenoxy)ethylamino]-2-oxoacetic acid
CID 82129666
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine?
The IUPAC name of N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine (CID 123710934) is N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine?
The canonical SMILES for N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine is CNCCOc1cc(C)cc(OCCNC)c1.
What is the InChIKey of N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine?
The InChIKey is LXOCIVYLDJJLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-11-8-12(16-6-4-14-2)10-13(9-11)17-7-5-15-3/h8-10,14-15H,4-7H2,1-3H3.
What are the key properties of N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine?
N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine is sourced from PubChem (CID 123710934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).