3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine

C13H21NO2 — CID 62797159

IUPAC3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
SMILESCNC(CCOC)c1cc(C)ccc1OC
InChIInChI=1S/C13H21NO2/c1-10-5-6-13(16-4)11(9-10)12(14-2)7-8-15-3/h5-6,9,12,14H,7-8H2,1-4H3
InChIKeyODHISWCQHLDODU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.30
Rot. Bonds6

About 3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine

3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine (PubChem CID 62797159) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
PubChem CID62797159
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
SMILESCNC(CCOC)c1cc(C)ccc1OC
InChIInChI=1S/C13H21NO2/c1-10-5-6-13(16-4)11(9-10)12(14-2)7-8-15-3/h5-6,9,12,14H,7-8H2,1-4H3
InChIKeyODHISWCQHLDODU-UHFFFAOYSA-N
XLogP2.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
1-(2-methoxy-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105144092
1-(2-methoxy-5-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848296
N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine
CID 79087818
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 64610705
N-ethyl-3-(2-methoxyethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 102928464
3-(2-methoxy-5-methylphenyl)-3-(methylamino)propanenitrile
CID 116955091
2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64612602
1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115860856
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 82769055
1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949690
2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 79188328

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine (CID 62797159) is 3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine is CNC(CCOC)c1cc(C)ccc1OC.
What is the InChIKey of 3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine?
The InChIKey is ODHISWCQHLDODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-5-6-13(16-4)11(9-10)12(14-2)7-8-15-3/h5-6,9,12,14H,7-8H2,1-4H3.
What are the key properties of 3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine?
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 62797159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).