1,1-dimethoxy-3-(4-methylphenyl)propan-2-amine

C12H19NO2 — CID 74949249

IUPAC1,1-dimethoxy-3-(4-methylphenyl)propan-2-amine
SMILESCOC(OC)C(N)Cc1ccc(C)cc1
InChIInChI=1S/C12H19NO2/c1-9-4-6-10(7-5-9)8-11(13)12(14-2)15-3/h4-7,11-12H,8,13H2,1-3H3
InChIKeyIJMNKYLKBAMUDJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.48
Rot. Bonds5

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

1,1-dimethoxy-3-(4-methylphenyl)propan-2-amine (PubChem CID 74949249) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1,1-dimethoxy-3-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-3-(4-methylphenyl)propan-2-amine
PubChem CID74949249
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1,1-dimethoxy-3-(4-methylphenyl)propan-2-amine
SMILESCOC(OC)C(N)Cc1ccc(C)cc1
InChIInChI=1S/C12H19NO2/c1-9-4-6-10(7-5-9)8-11(13)12(14-2)15-3/h4-7,11-12H,8,13H2,1-3H3
InChIKeyIJMNKYLKBAMUDJ-UHFFFAOYSA-N
XLogP1.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-3-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1,1-dimethoxy-3-(4-methylphenyl)propan-2-amine (CID 74949249) is 1,1-dimethoxy-3-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1,1-dimethoxy-3-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1,1-dimethoxy-3-(4-methylphenyl)propan-2-amine is COC(OC)C(N)Cc1ccc(C)cc1.
What is the InChIKey of 1,1-dimethoxy-3-(4-methylphenyl)propan-2-amine?
The InChIKey is IJMNKYLKBAMUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-4-6-10(7-5-9)8-11(13)12(14-2)15-3/h4-7,11-12H,8,13H2,1-3H3.
What are the key properties of 1,1-dimethoxy-3-(4-methylphenyl)propan-2-amine?
1,1-dimethoxy-3-(4-methylphenyl)propan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-3-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 74949249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).