4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine

C20H25NO — CID 57213266

IUPAC4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCOC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-21(2)15-9-10-16-22-20(19-13-7-4-8-14-19)17-18-11-5-3-6-12-18/h3-8,11-14,17H,9-10,15-16H2,1-2H3
InChIKeySCHSDSSWARKHHO-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.54
Rot. Bonds8

About 4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine

4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine (PubChem CID 57213266) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine
PubChem CID57213266
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCOC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO/c1-21(2)15-9-10-16-22-20(19-13-7-4-8-14-19)17-18-11-5-3-6-12-18/h3-8,11-14,17H,9-10,15-16H2,1-2H3
InChIKeySCHSDSSWARKHHO-UHFFFAOYSA-N
XLogP4.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine (CID 57213266) is 4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine is CN(C)CCCCOC(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine?
The InChIKey is SCHSDSSWARKHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-21(2)15-9-10-16-22-20(19-13-7-4-8-14-19)17-18-11-5-3-6-12-18/h3-8,11-14,17H,9-10,15-16H2,1-2H3.
What are the key properties of 4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine?
4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-diphenylethenoxy)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 57213266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).