N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine

C15H23NO3 — CID 61166639

IUPACN-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine
SMILESCOc1cc(CNCC(C)(C)C)cc2c1OCCO2
InChIInChI=1S/C15H23NO3/c1-15(2,3)10-16-9-11-7-12(17-4)14-13(8-11)18-5-6-19-14/h7-8,16H,5-6,9-10H2,1-4H3
InChIKeyZXRLGQLGBRMMBV-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.60
Rot. Bonds4

About N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine

N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine (PubChem CID 61166639) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine
PubChem CID61166639
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine
SMILESCOc1cc(CNCC(C)(C)C)cc2c1OCCO2
InChIInChI=1S/C15H23NO3/c1-15(2,3)10-16-9-11-7-12(17-4)14-13(8-11)18-5-6-19-14/h7-8,16H,5-6,9-10H2,1-4H3
InChIKeyZXRLGQLGBRMMBV-UHFFFAOYSA-N
XLogP2.60
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 21109
CID 21109
CID 83201
CID 83201
CID 65790
CID 65790
CID 38240
CID 38240
CID 138365
CID 138365
CID 87736
CID 87736
CID 15102790
CID 15102790
CID 44350127
CID 44350127
CID 9926449
CID 9926449
CID 44719469
CID 44719469
CID 706120
CID 706120
CID 2825094
CID 2825094

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine (CID 61166639) is N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine is COc1cc(CNCC(C)(C)C)cc2c1OCCO2.
What is the InChIKey of N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is ZXRLGQLGBRMMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)10-16-9-11-7-12(17-4)14-13(8-11)18-5-6-19-14/h7-8,16H,5-6,9-10H2,1-4H3.
What are the key properties of N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine?
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 61166639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).