1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine

C26H36N2O — CID 67344388

IUPAC1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine
SMILESC=Cc1ccc(CC(COCC(Cc2ccc(C=C)cc2)N(C)C)N(C)C)cc1
InChIInChI=1S/C26H36N2O/c1-7-21-9-13-23(14-10-21)17-25(27(3)4)19-29-20-26(28(5)6)18-24-15-11-22(8-2)12-16-24/h7-16,25-26H,1-2,17-20H2,3-6H3
InChIKeyOSMRSRHVCBQUGO-UHFFFAOYSA-N
MW392.59 g/mol
LogP4.63
Rot. Bonds12

About 1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine

1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine (PubChem CID 67344388) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine
PubChem CID67344388
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC Name1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine
SMILESC=Cc1ccc(CC(COCC(Cc2ccc(C=C)cc2)N(C)C)N(C)C)cc1
InChIInChI=1S/C26H36N2O/c1-7-21-9-13-23(14-10-21)17-25(27(3)4)19-29-20-26(28(5)6)18-24-15-11-22(8-2)12-16-24/h7-16,25-26H,1-2,17-20H2,3-6H3
InChIKeyOSMRSRHVCBQUGO-UHFFFAOYSA-N
XLogP4.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine (CID 67344388) is 1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine is C=Cc1ccc(CC(COCC(Cc2ccc(C=C)cc2)N(C)C)N(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine?
The InChIKey is OSMRSRHVCBQUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c1-7-21-9-13-23(14-10-21)17-25(27(3)4)19-29-20-26(28(5)6)18-24-15-11-22(8-2)12-16-24/h7-16,25-26H,1-2,17-20H2,3-6H3.
What are the key properties of 1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine?
1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine has a molecular weight of 392.59 g/mol, XLogP of 4.63, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-3-(4-ethenylphenyl)propoxy]-3-(4-ethenylphenyl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 67344388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).