N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine

C16H24N2O2 — CID 81301541

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(NCCc2ccc3c(c2)OCCO3)CN1C
InChIInChI=1S/C16H24N2O2/c1-12-9-14(11-18(12)2)17-6-5-13-3-4-15-16(10-13)20-8-7-19-15/h3-4,10,12,14,17H,5-9,11H2,1-2H3
InChIKeyJLOFSAAIYGXBHI-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.68
Rot. Bonds4

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81301541) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine
PubChem CID81301541
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(NCCc2ccc3c(c2)OCCO3)CN1C
InChIInChI=1S/C16H24N2O2/c1-12-9-14(11-18(12)2)17-6-5-13-3-4-15-16(10-13)20-8-7-19-15/h3-4,10,12,14,17H,5-9,11H2,1-2H3
InChIKeyJLOFSAAIYGXBHI-UHFFFAOYSA-N
XLogP1.68
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81295796
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine
CID 81300420
(2R,4R,5R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 97321684
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclopentan-1-amine
CID 64501434
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclohexan-1-amine
CID 43178290
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 64774317
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiolan-3-amine
CID 43178288
1,5-dimethyl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 81300569
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3-methylazetidine
CID 144811231
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1,4-diazepane
CID 64940363
1,5-dimethyl-N-[2-(2-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81301413
trans-(1S,2S)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol
CID 102732981

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine (CID 81301541) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine is CC1CC(NCCc2ccc3c(c2)OCCO3)CN1C.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is JLOFSAAIYGXBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-9-14(11-18(12)2)17-6-5-13-3-4-15-16(10-13)20-8-7-19-15/h3-4,10,12,14,17H,5-9,11H2,1-2H3.
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 276.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81301541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).