1-(1,3-Benzodioxol-5-yl)cyclopentanemethanamine

HCID 19960588

Notes Reactions

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Basic information

Standard SMILES: NCC1(c2ccc3c(c2)OCO3)CCCC1
InChIKey: SBSKIHXCZWXAHH-UHFFFAOYSA-N
Molecular formula: C13H17NO2
Average molar mass: 219.28 g/mol

Names & identifiers

Preferred name: 1-(1,3-Benzodioxol-5-yl)cyclopentanemethanamine
IUPAC: [1-(1,3-benzodioxol-5-yl)cyclopentyl]methanamine

Names & synonyms

40691-79-01-(1,3-Benzodioxol-5-yl)cyclopentanemethanamineMFCD10691047(1-(Benzo[d][1,3]dioxol-5-yl)cyclopentyl)methanamine[1-(1,3-dioxaindan-5-yl)cyclopentyl]methanamine1-[1-(2H-1,3-benzodioxol-5-yl)cyclopentyl]methanamine[1-(1,3-benzodioxol-5-yl)cyclopentyl]methanamineSCHEMBL558007SBSKIHXCZWXAHH-UHFFFAOYSA-NAC6084AKOS009265852SY226377

Show more names

EN300-1997118C-(1-Benzo[1,3]dioxol-5-yl-cyclopentyl)-methylamine

Database identifiers

PubChem CID: 19960588

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 250

Related reactions

2 records

New reaction record

HRID 215085As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1818081As reactantuspto-grants-2009_10

Compound notes

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