N-(dimethoxymethyl)-N-methyl-2-phenylethanamine

C12H19NO2 — CID 19103313

IUPACN-(dimethoxymethyl)-N-methyl-2-phenylethanamine
SMILESCOC(OC)N(C)CCc1ccccc1
InChIInChI=1S/C12H19NO2/c1-13(12(14-2)15-3)10-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyDLOWCHUSQCVWAL-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.74
Rot. Bonds6

About N-(dimethoxymethyl)-N-methyl-2-phenylethanamine

N-(dimethoxymethyl)-N-methyl-2-phenylethanamine (PubChem CID 19103313) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(dimethoxymethyl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound NameN-(dimethoxymethyl)-N-methyl-2-phenylethanamine
PubChem CID19103313
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(dimethoxymethyl)-N-methyl-2-phenylethanamine
SMILESCOC(OC)N(C)CCc1ccccc1
InChIInChI=1S/C12H19NO2/c1-13(12(14-2)15-3)10-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyDLOWCHUSQCVWAL-UHFFFAOYSA-N
XLogP1.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.74
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 N-(dimethoxymethyl)-N-methyl-2-phenylethanamine?
The IUPAC name of N-(dimethoxymethyl)-N-methyl-2-phenylethanamine (CID 19103313) is N-(dimethoxymethyl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for N-(dimethoxymethyl)-N-methyl-2-phenylethanamine?
The canonical SMILES for N-(dimethoxymethyl)-N-methyl-2-phenylethanamine is COC(OC)N(C)CCc1ccccc1.
What is the InChIKey of N-(dimethoxymethyl)-N-methyl-2-phenylethanamine?
The InChIKey is DLOWCHUSQCVWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-13(12(14-2)15-3)10-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3.
What are the key properties of N-(dimethoxymethyl)-N-methyl-2-phenylethanamine?
N-(dimethoxymethyl)-N-methyl-2-phenylethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethoxymethyl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 19103313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).