3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine

C15H22N2O2 — CID 82090875

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESNCC(Cc1ccc2c(c1)OCCO2)N1CCCC1
InChIInChI=1S/C15H22N2O2/c16-11-13(17-5-1-2-6-17)9-12-3-4-14-15(10-12)19-8-7-18-14/h3-4,10,13H,1-2,5-9,11,16H2
InChIKeyTZXQJDKNFUWZJU-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.42
Rot. Bonds4

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 82090875) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID82090875
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESNCC(Cc1ccc2c(c1)OCCO2)N1CCCC1
InChIInChI=1S/C15H22N2O2/c16-11-13(17-5-1-2-6-17)9-12-3-4-14-15(10-12)19-8-7-18-14/h3-4,10,13H,1-2,5-9,11,16H2
InChIKeyTZXQJDKNFUWZJU-UHFFFAOYSA-N
XLogP1.42
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine
CID 176959544
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropan-1-amine
CID 64664962
3-[3-amino-2-(azetidin-1-yl)propyl]phenol
CID 84722321
2-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 62081543
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine
CID 82262479
3-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpropanenitrile
CID 82089529
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)propan-1-amine
CID 82140667
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
CID 42325917
N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]cyclopentanecarboxamide
CID 70276500
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylpiperidine
CID 141275446
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone
CID 30147853

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine (CID 82090875) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine is NCC(Cc1ccc2c(c1)OCCO2)N1CCCC1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is TZXQJDKNFUWZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-11-13(17-5-1-2-6-17)9-12-3-4-14-15(10-12)19-8-7-18-14/h3-4,10,13H,1-2,5-9,11,16H2.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 82090875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).