3-(1,3-benzodioxol-4-yloxy)-3-(3,4-dimethylphenyl)-N,N-dimethylpropan-1-amine

C20H25NO3 — CID 145108413

IUPAC3-(1,3-benzodioxol-4-yloxy)-3-(3,4-dimethylphenyl)-N,N-dimethylpropan-1-amine
SMILESCc1ccc(C(CCN(C)C)Oc2cccc3c2OCO3)cc1C
InChIInChI=1S/C20H25NO3/c1-14-8-9-16(12-15(14)2)17(10-11-21(3)4)24-19-7-5-6-18-20(19)23-13-22-18/h5-9,12,17H,10-11,13H2,1-4H3
InChIKeySHERBTSHKDMLAY-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.10
Rot. Bonds6

About 3-(1,3-benzodioxol-4-yloxy)-3-(3,4-dimethylphenyl)-N,N-dimethylpropan-1-amine

3-(1,3-benzodioxol-4-yloxy)-3-(3,4-dimethylphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 145108413) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-4-yloxy)-3-(3,4-dimethylphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-4-yloxy)-3-(3,4-dimethylphenyl)-N,N-dimethylpropan-1-amine
PubChem CID145108413
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3-(1,3-benzodioxol-4-yloxy)-3-(3,4-dimethylphenyl)-N,N-dimethylpropan-1-amine
SMILESCc1ccc(C(CCN(C)C)Oc2cccc3c2OCO3)cc1C
InChIInChI=1S/C20H25NO3/c1-14-8-9-16(12-15(14)2)17(10-11-21(3)4)24-19-7-5-6-18-20(19)23-13-22-18/h5-9,12,17H,10-11,13H2,1-4H3
InChIKeySHERBTSHKDMLAY-UHFFFAOYSA-N
XLogP4.10
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-4-yloxy)-3-(3,4-dimethylphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(1,3-benzodioxol-4-yloxy)-3-(3,4-dimethylphenyl)-N,N-dimethylpropan-1-amine (CID 145108413) is 3-(1,3-benzodioxol-4-yloxy)-3-(3,4-dimethylphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(1,3-benzodioxol-4-yloxy)-3-(3,4-dimethylphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(1,3-benzodioxol-4-yloxy)-3-(3,4-dimethylphenyl)-N,N-dimethylpropan-1-amine is Cc1ccc(C(CCN(C)C)Oc2cccc3c2OCO3)cc1C.
What is the InChIKey of 3-(1,3-benzodioxol-4-yloxy)-3-(3,4-dimethylphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is SHERBTSHKDMLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14-8-9-16(12-15(14)2)17(10-11-21(3)4)24-19-7-5-6-18-20(19)23-13-22-18/h5-9,12,17H,10-11,13H2,1-4H3.
What are the key properties of 3-(1,3-benzodioxol-4-yloxy)-3-(3,4-dimethylphenyl)-N,N-dimethylpropan-1-amine?
3-(1,3-benzodioxol-4-yloxy)-3-(3,4-dimethylphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 327.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-4-yloxy)-3-(3,4-dimethylphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 145108413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).