2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine

C12H19NO3 — CID 79016908

IUPAC2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(CN)(OC)OC
InChIInChI=1S/C12H19NO3/c1-9-5-6-11(14-2)10(7-9)12(8-13,15-3)16-4/h5-7H,8,13H2,1-4H3
InChIKeyPSFJUHJXWRWIFM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.41
Rot. Bonds5

About 2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine

2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 79016908) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID79016908
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(CN)(OC)OC
InChIInChI=1S/C12H19NO3/c1-9-5-6-11(14-2)10(7-9)12(8-13,15-3)16-4/h5-7H,8,13H2,1-4H3
InChIKeyPSFJUHJXWRWIFM-UHFFFAOYSA-N
XLogP1.41
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxy-5-methylphenyl)heptan-4-amine
CID 54886794
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425
2-(2-methoxy-5-methylphenyl)-N-methylpropan-2-amine
CID 82281676
2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene
CID 116841637
1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol
CID 131862050
2-amino-2-(2-methoxy-5-methylphenyl)propanenitrile
CID 16794194
2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile
CID 55026470
ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate
CID 5022792
1,1,1-trifluoro-2-(2-methoxy-5-methylphenyl)butan-2-ol
CID 83958038
chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
CID 89214237
3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol
CID 83919722
ethyl 3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoate
CID 55071451

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine (CID 79016908) is 2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1C(CN)(OC)OC.
What is the InChIKey of 2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is PSFJUHJXWRWIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-5-6-11(14-2)10(7-9)12(8-13,15-3)16-4/h5-7H,8,13H2,1-4H3.
What are the key properties of 2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine?
2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 225.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 79016908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).