1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine

C13H21NO3 — CID 79616097

IUPAC1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine
SMILESCNC(c1cc(OC)ccc1OC)C(C)OC
InChIInChI=1S/C13H21NO3/c1-9(15-3)13(14-2)11-8-10(16-4)6-7-12(11)17-5/h6-9,13-14H,1-5H3
InChIKeyHGDACELBMHJTDG-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.00
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine

1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine (PubChem CID 79616097) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine
PubChem CID79616097
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine
SMILESCNC(c1cc(OC)ccc1OC)C(C)OC
InChIInChI=1S/C13H21NO3/c1-9(15-3)13(14-2)11-8-10(16-4)6-7-12(11)17-5/h6-9,13-14H,1-5H3
InChIKeyHGDACELBMHJTDG-UHFFFAOYSA-N
XLogP2.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine
CID 43481972
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954299
[1-(2,5-dimethoxyphenyl)-2-methylpropyl]hydrazine
CID 105199640
1-chloro-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 116962039
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859416
methyl 3-(2,5-dimethoxyphenyl)-2-oxobutanoate
CID 112501653
1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028971
2-(1-isocyanoethyl)-1,4-dimethoxybenzene
CID 4538904
2-(2,5-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60795865
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine
CID 116715821

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine (CID 79616097) is 1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine is CNC(c1cc(OC)ccc1OC)C(C)OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine?
The InChIKey is HGDACELBMHJTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(15-3)13(14-2)11-8-10(16-4)6-7-12(11)17-5/h6-9,13-14H,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine?
1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 79616097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).