2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine

C19H25NO — CID 154143220

IUPAC2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-20(2)14-16-21-15-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3
InChIKeySXYDLVXIUMUEEV-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.79
Rot. Bonds8

About 2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine

2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine (PubChem CID 154143220) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine
PubChem CID154143220
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-20(2)14-16-21-15-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3
InChIKeySXYDLVXIUMUEEV-UHFFFAOYSA-N
XLogP3.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine (CID 154143220) is 2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine is CN(C)CCOCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine?
The InChIKey is SXYDLVXIUMUEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-20(2)14-16-21-15-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3.
What are the key properties of 2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine?
2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 154143220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).