1,1-dimethoxy-N,N-dimethyl-1-(4-methylphenyl)methanamine

C12H19NO2 — CID 12649365

IUPAC1,1-dimethoxy-N,N-dimethyl-1-(4-methylphenyl)methanamine
SMILESCOC(OC)(c1ccc(C)cc1)N(C)C
InChIInChI=1S/C12H19NO2/c1-10-6-8-11(9-7-10)12(14-4,15-5)13(2)3/h6-9H,1-5H3
InChIKeyBABAEUYBVWSKDX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.96
Rot. Bonds4

About 1,1-dimethoxy-N,N-dimethyl-1-(4-methylphenyl)methanamine

1,1-dimethoxy-N,N-dimethyl-1-(4-methylphenyl)methanamine (PubChem CID 12649365) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1,1-dimethoxy-N,N-dimethyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name1,1-dimethoxy-N,N-dimethyl-1-(4-methylphenyl)methanamine
PubChem CID12649365
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1,1-dimethoxy-N,N-dimethyl-1-(4-methylphenyl)methanamine
SMILESCOC(OC)(c1ccc(C)cc1)N(C)C
InChIInChI=1S/C12H19NO2/c1-10-6-8-11(9-7-10)12(14-4,15-5)13(2)3/h6-9H,1-5H3
InChIKeyBABAEUYBVWSKDX-UHFFFAOYSA-N
XLogP1.96
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
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-N,N-dimethyl-1-(4-methylphenyl)methanamine?
The IUPAC name of 1,1-dimethoxy-N,N-dimethyl-1-(4-methylphenyl)methanamine (CID 12649365) is 1,1-dimethoxy-N,N-dimethyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for 1,1-dimethoxy-N,N-dimethyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for 1,1-dimethoxy-N,N-dimethyl-1-(4-methylphenyl)methanamine is COC(OC)(c1ccc(C)cc1)N(C)C.
What is the InChIKey of 1,1-dimethoxy-N,N-dimethyl-1-(4-methylphenyl)methanamine?
The InChIKey is BABAEUYBVWSKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-6-8-11(9-7-10)12(14-4,15-5)13(2)3/h6-9H,1-5H3.
What are the key properties of 1,1-dimethoxy-N,N-dimethyl-1-(4-methylphenyl)methanamine?
1,1-dimethoxy-N,N-dimethyl-1-(4-methylphenyl)methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N,N-dimethyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 12649365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).