1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentan-1-amine

C15H21NO3 — CID 117412730

IUPAC1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentan-1-amine
SMILESCOCc1cc2c(cc1C1(N)CCCC1)OCCO2
InChIInChI=1S/C15H21NO3/c1-17-10-11-8-13-14(19-7-6-18-13)9-12(11)15(16)4-2-3-5-15/h8-9H,2-7,10,16H2,1H3
InChIKeyQJMLGPODBVTGQT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.33
Rot. Bonds3

About 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentan-1-amine

1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentan-1-amine (PubChem CID 117412730) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentan-1-amine
PubChem CID117412730
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentan-1-amine
SMILESCOCc1cc2c(cc1C1(N)CCCC1)OCCO2
InChIInChI=1S/C15H21NO3/c1-17-10-11-8-13-14(19-7-6-18-13)9-12(11)15(16)4-2-3-5-15/h8-9H,2-7,10,16H2,1H3
InChIKeyQJMLGPODBVTGQT-UHFFFAOYSA-N
XLogP2.33
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentan-1-amine?
The IUPAC name of 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentan-1-amine (CID 117412730) is 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentan-1-amine is COCc1cc2c(cc1C1(N)CCCC1)OCCO2.
What is the InChIKey of 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentan-1-amine?
The InChIKey is QJMLGPODBVTGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-17-10-11-8-13-14(19-7-6-18-13)9-12(11)15(16)4-2-3-5-15/h8-9H,2-7,10,16H2,1H3.
What are the key properties of 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentan-1-amine?
1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentan-1-amine has a molecular weight of 263.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentan-1-amine is sourced from PubChem (CID 117412730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).