1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine

C15H23NO2 — CID 82480683

IUPAC1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine
SMILESCc1cc2c(cc1CC(C)NC(C)C)OCCO2
InChIInChI=1S/C15H23NO2/c1-10(2)16-12(4)8-13-9-15-14(7-11(13)3)17-5-6-18-15/h7,9-10,12,16H,5-6,8H2,1-4H3
InChIKeyZUNNSBMPOBIFSK-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.70
Rot. Bonds4

About 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine

1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine (PubChem CID 82480683) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine
PubChem CID82480683
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine
SMILESCc1cc2c(cc1CC(C)NC(C)C)OCCO2
InChIInChI=1S/C15H23NO2/c1-10(2)16-12(4)8-13-9-15-14(7-11(13)3)17-5-6-18-15/h7,9-10,12,16H,5-6,8H2,1-4H3
InChIKeyZUNNSBMPOBIFSK-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine
CID 82262479
1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea
CID 110775217
3-methyl-2-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]butane-1,2-diamine
CID 115138139
N-methyl-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propan-2-amine
CID 117044190
6-(2-chloroethyl)-7-methyl-2,3-dihydro-1,4-benzodioxine
CID 82470956
N-methoxy-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 117298672
2-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-amine
CID 116924968
N-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline
CID 116926122
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine
CID 112513604
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoacetic acid
CID 115141329
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoacetamide
CID 115166249
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]acetonitrile
CID 115131005

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine (CID 82480683) is 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine is Cc1cc2c(cc1CC(C)NC(C)C)OCCO2.
What is the InChIKey of 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine?
The InChIKey is ZUNNSBMPOBIFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)16-12(4)8-13-9-15-14(7-11(13)3)17-5-6-18-15/h7,9-10,12,16H,5-6,8H2,1-4H3.
What are the key properties of 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine?
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 82480683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).