[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine;hydrochloride

C14H20ClNO2 — CID 6602724

IUPAC[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine;hydrochloride
SMILESCl.NCC1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C14H19NO2.ClH/c15-10-14(5-1-2-6-14)11-3-4-12-13(9-11)17-8-7-16-12;/h3-4,9H,1-2,5-8,10,15H2;1H
InChIKeyZHOTWWRTDVXUPG-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.65
Rot. Bonds2

About [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine;hydrochloride

[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine;hydrochloride (PubChem CID 6602724) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine;hydrochloride
PubChem CID6602724
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine;hydrochloride
SMILESCl.NCC1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C14H19NO2.ClH/c15-10-14(5-1-2-6-14)11-3-4-12-13(9-11)17-8-7-16-12;/h3-4,9H,1-2,5-8,10,15H2;1H
InChIKeyZHOTWWRTDVXUPG-UHFFFAOYSA-N
XLogP2.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine;hydrochloride?
The IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine;hydrochloride (CID 6602724) is [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine;hydrochloride?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine;hydrochloride is Cl.NCC1(c2ccc3c(c2)OCCO3)CCCC1.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine;hydrochloride?
The InChIKey is ZHOTWWRTDVXUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c15-10-14(5-1-2-6-14)11-3-4-12-13(9-11)17-8-7-16-12;/h3-4,9H,1-2,5-8,10,15H2;1H.
What are the key properties of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine;hydrochloride?
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine;hydrochloride is sourced from PubChem (CID 6602724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).