2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine

C13H21NO3 — CID 116835628

IUPAC2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine
SMILESCOCC(CN)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C13H21NO3/c1-9-5-12(16-3)13(17-4)6-11(9)10(7-14)8-15-2/h5-6,10H,7-8,14H2,1-4H3
InChIKeyUDROUPIXWDKDLK-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.70
Rot. Bonds6

About 2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine

2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine (PubChem CID 116835628) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine
PubChem CID116835628
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine
SMILESCOCC(CN)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C13H21NO3/c1-9-5-12(16-3)13(17-4)6-11(9)10(7-14)8-15-2/h5-6,10H,7-8,14H2,1-4H3
InChIKeyUDROUPIXWDKDLK-UHFFFAOYSA-N
XLogP1.70
TPSA53.71 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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077546
2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine
CID 116835620
2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine
CID 116835574
3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine
CID 116835584
3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
CID 82283929
3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine
CID 116835676
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol
CID 116957681
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(dimethylamino)propan-2-ol
CID 116911728
1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene
CID 61097408
2-(2-methoxy-4,5-dimethylphenoxy)ethanamine
CID 82491313
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949042
2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol
CID 116863696

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine?
The IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine (CID 116835628) is 2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine.
What is the SMILES notation for 2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine?
The canonical SMILES for 2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine is COCC(CN)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine?
The InChIKey is UDROUPIXWDKDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9-5-12(16-3)13(17-4)6-11(9)10(7-14)8-15-2/h5-6,10H,7-8,14H2,1-4H3.
What are the key properties of 2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine?
2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2-methylphenyl)-3-methoxypropan-1-amine is sourced from PubChem (CID 116835628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).