3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine

C14H23NO2 — CID 51081765

IUPAC3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine
SMILESCOCCCN(C)C(C)c1ccccc1OC
InChIInChI=1S/C14H23NO2/c1-12(15(2)10-7-11-16-3)13-8-5-6-9-14(13)17-4/h5-6,8-9,12H,7,10-11H2,1-4H3
InChIKeyWNGOVLUBOPIUMZ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.72
Rot. Bonds7

About 3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine

3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine (PubChem CID 51081765) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine
PubChem CID51081765
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine
SMILESCOCCCN(C)C(C)c1ccccc1OC
InChIInChI=1S/C14H23NO2/c1-12(15(2)10-7-11-16-3)13-8-5-6-9-14(13)17-4/h5-6,8-9,12H,7,10-11H2,1-4H3
InChIKeyWNGOVLUBOPIUMZ-UHFFFAOYSA-N
XLogP2.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine
CID 94407176
5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
CID 82980149
3-[3-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94184517
N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62985012
4-bromo-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
CID 82979584
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate
CID 94157373
1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55142037
2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 78935486
3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94104059
1-(2-chloro-6-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 104816327
5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine
CID 95120663

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine?
The IUPAC name of 3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine (CID 51081765) is 3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine?
The canonical SMILES for 3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine is COCCCN(C)C(C)c1ccccc1OC.
What is the InChIKey of 3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine?
The InChIKey is WNGOVLUBOPIUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(15(2)10-7-11-16-3)13-8-5-6-9-14(13)17-4/h5-6,8-9,12H,7,10-11H2,1-4H3.
What are the key properties of 3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine?
3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine is sourced from PubChem (CID 51081765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).