1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine

C12H17NO2 — CID 101045626

IUPAC1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine
SMILESCC(Cc1cccc2c1OCO2)N(C)C
InChIInChI=1S/C12H17NO2/c1-9(13(2)3)7-10-5-4-6-11-12(10)15-8-14-11/h4-6,9H,7-8H2,1-3H3
InChIKeyJDMYLMMSBHAOJH-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.91
Rot. Bonds3

About 1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine

1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine (PubChem CID 101045626) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine
PubChem CID101045626
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine
SMILESCC(Cc1cccc2c1OCO2)N(C)C
InChIInChI=1S/C12H17NO2/c1-9(13(2)3)7-10-5-4-6-11-12(10)15-8-14-11/h4-6,9H,7-8H2,1-3H3
InChIKeyJDMYLMMSBHAOJH-UHFFFAOYSA-N
XLogP1.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methyl-2-propan-2-ylbutyl)-1,3-benzodioxole
CID 126542882
4-(bromomethyl)-1,3-benzodioxole
CID 22505967
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
N-methyl-N-propan-2-yl-1,3-benzodioxol-4-amine
CID 163258308
N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutan-2-amine
CID 115623154
(2R)-2-(1,3-benzodioxol-4-ylmethylamino)propan-1-ol
CID 93187645
1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine
CID 82710463
N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride
CID 154879529
5-(1,3-benzodioxol-4-ylmethyl)-6-ethyl-1,3-benzodioxole
CID 171509585
2-(1,3-benzodioxol-4-ylmethylamino)-3-methylbutan-1-ol
CID 79254249
1-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperazine
CID 70905419
1-(1,3-benzodioxol-4-yl)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine
CID 50975342

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine (CID 101045626) is 1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine is CC(Cc1cccc2c1OCO2)N(C)C.
What is the InChIKey of 1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine?
The InChIKey is JDMYLMMSBHAOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(13(2)3)7-10-5-4-6-11-12(10)15-8-14-11/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine?
1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine has a molecular weight of 207.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-4-yl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 101045626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).