1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine

C14H23NO3 — CID 113389088

IUPAC1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1c(OC)cccc1OCCCOC
InChIInChI=1S/C14H23NO3/c1-11(15-2)14-12(17-4)7-5-8-13(14)18-10-6-9-16-3/h5,7-8,11,15H,6,9-10H2,1-4H3
InChIKeyFMVNDDVKMWBYDB-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.39
Rot. Bonds8

About 1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine

1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine (PubChem CID 113389088) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine
PubChem CID113389088
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1c(OC)cccc1OCCCOC
InChIInChI=1S/C14H23NO3/c1-11(15-2)14-12(17-4)7-5-8-13(14)18-10-6-9-16-3/h5,7-8,11,15H,6,9-10H2,1-4H3
InChIKeyFMVNDDVKMWBYDB-UHFFFAOYSA-N
XLogP2.39
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740278
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 43285076
1-(2-cyclopentyloxy-6-methoxyphenyl)-N-methylethanamine
CID 113389061
[1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine
CID 105225087
2-(difluoromethyl)-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 141152201
N-[1-[2-(2-cyclobutylethoxy)-6-methoxyphenyl]ethyl]propan-1-amine
CID 106202382
1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine
CID 113389150
1-[2-methoxy-6-(1-methylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116792885
1-(bromomethyl)-3-methoxy-2-(3-methoxypropoxy)benzene
CID 60926789
(1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine
CID 113389069

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine (CID 113389088) is 1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine is CNC(C)c1c(OC)cccc1OCCCOC.
What is the InChIKey of 1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine?
The InChIKey is FMVNDDVKMWBYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(15-2)14-12(17-4)7-5-8-13(14)18-10-6-9-16-3/h5,7-8,11,15H,6,9-10H2,1-4H3.
What are the key properties of 1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine?
1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine has a molecular weight of 253.34 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 113389088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).