[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine

C14H20N2O2 — CID 82623053

IUPAC[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine
SMILESCN1C(CN)CCC1c1cccc2c1OCCO2
InChIInChI=1S/C14H20N2O2/c1-16-10(9-15)5-6-12(16)11-3-2-4-13-14(11)18-8-7-17-13/h2-4,10,12H,5-9,15H2,1H3
InChIKeyAMNQPNZMORPZNN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.55
Rot. Bonds2

About [5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine

[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine (PubChem CID 82623053) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine
PubChem CID82623053
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine
SMILESCN1C(CN)CCC1c1cccc2c1OCCO2
InChIInChI=1S/C14H20N2O2/c1-16-10(9-15)5-6-12(16)11-3-2-4-13-14(11)18-8-7-17-13/h2-4,10,12H,5-9,15H2,1H3
InChIKeyAMNQPNZMORPZNN-UHFFFAOYSA-N
XLogP1.55
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,6-dimethylpiperazine
CID 82383345
(2S)-2-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]propan-1-one
CID 119314970
2-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanamine
CID 82623069
5-cyclopropyl-2,3-dihydro-1,4-benzodioxine
CID 54515769
(2R)-2-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119314979
4-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 120562051
[3-[[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751671
[1-(3,4-dihydro-2H-chromen-4-yl)-4-ethylpiperidin-2-yl]methanamine
CID 103351884
4-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119314985
(2S)-2-(cyclopropylmethoxy)-1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]propan-1-one
CID 95175061
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-1,4-diazepane
CID 82623051
N'-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 66568533

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine?
The IUPAC name of [5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine (CID 82623053) is [5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine is CN1C(CN)CCC1c1cccc2c1OCCO2.
What is the InChIKey of [5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine?
The InChIKey is AMNQPNZMORPZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16-10(9-15)5-6-12(16)11-3-2-4-13-14(11)18-8-7-17-13/h2-4,10,12H,5-9,15H2,1H3.
What are the key properties of [5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine?
[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine has a molecular weight of 248.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 82623053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).