N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine

C16H24N2O2 — CID 63301028

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine
SMILESCCCN(CC1COc2ccccc2O1)C1CCNC1
InChIInChI=1S/C16H24N2O2/c1-2-9-18(13-7-8-17-10-13)11-14-12-19-15-5-3-4-6-16(15)20-14/h3-6,13-14,17H,2,7-12H2,1H3
InChIKeyPMCCPCGMQXXTDM-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.90
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine (PubChem CID 63301028) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine
PubChem CID63301028
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine
SMILESCCCN(CC1COc2ccccc2O1)C1CCNC1
InChIInChI=1S/C16H24N2O2/c1-2-9-18(13-7-8-17-10-13)11-14-12-19-15-5-3-4-6-16(15)20-14/h3-6,13-14,17H,2,7-12H2,1H3
InChIKeyPMCCPCGMQXXTDM-UHFFFAOYSA-N
XLogP1.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylpyrrolidin-3-amine
CID 66364981
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpiperidin-4-amine
CID 60805439
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine
CID 43607109
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine
CID 79230131
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine
CID 66363424
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921375
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylacetamide;hydrochloride
CID 119268330
2-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylacetamide
CID 112793656
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-1-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119684038
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propylpiperidin-3-amine
CID 66365889

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine (CID 63301028) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine is CCCN(CC1COc2ccccc2O1)C1CCNC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine?
The InChIKey is PMCCPCGMQXXTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-9-18(13-7-8-17-10-13)11-14-12-19-15-5-3-4-6-16(15)20-14/h3-6,13-14,17H,2,7-12H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine has a molecular weight of 276.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63301028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).