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

C16H25N3O2 — CID 63163944

IUPAC1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CC(N)c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C16H25N3O2/c1-18(2)13-5-6-19(10-13)11-14(17)12-3-4-15-16(9-12)21-8-7-20-15/h3-4,9,13-14H,5-8,10-11,17H2,1-2H3
InChIKeyPLXBZSMOCQMUSC-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.09
Rot. Bonds4

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

1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63163944) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63163944
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CC(N)c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C16H25N3O2/c1-18(2)13-5-6-19(10-13)11-14(17)12-3-4-15-16(9-12)21-8-7-20-15/h3-4,9,13-14H,5-8,10-11,17H2,1-2H3
InChIKeyPLXBZSMOCQMUSC-UHFFFAOYSA-N
XLogP1.09
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164076
1-[2-(1,3-benzodioxol-5-yl)-2-(methylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163903
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 115559534
1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521053
N'-cyclopentyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methylethane-1,2-diamine
CID 43267145
1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164252
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-morpholin-4-ylethanamine
CID 16788978
1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521048
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxypropan-1-amine
CID 62790727
1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
CID 61441471
1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide
CID 16783727
(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropan-1-ol
CID 129295924

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 63163944) is 1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(CC(N)c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is PLXBZSMOCQMUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18(2)13-5-6-19(10-13)11-14(17)12-3-4-15-16(9-12)21-8-7-20-15/h3-4,9,13-14H,5-8,10-11,17H2,1-2H3.
What are the key properties of 1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 291.40 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63163944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).