5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine

C20H27N3O2 — CID 124731296

IUPAC5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine
SMILESCC[C@@H](NCc1ccc(N(C)CC)nc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H27N3O2/c1-4-17(16-7-8-18-19(12-16)25-11-10-24-18)21-13-15-6-9-20(22-14-15)23(3)5-2/h6-9,12,14,17,21H,4-5,10-11,13H2,1-3H3/t17-/m1/s1
InChIKeyITOHAOGVXCHIBC-QGZVFWFLSA-N
MW341.46 g/mol
LogP3.55
Rot. Bonds7

About 5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine

5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine (PubChem CID 124731296) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine
PubChem CID124731296
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine
SMILESCC[C@@H](NCc1ccc(N(C)CC)nc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H27N3O2/c1-4-17(16-7-8-18-19(12-16)25-11-10-24-18)21-13-15-6-9-20(22-14-15)23(3)5-2/h6-9,12,14,17,21H,4-5,10-11,13H2,1-3H3/t17-/m1/s1
InChIKeyITOHAOGVXCHIBC-QGZVFWFLSA-N
XLogP3.55
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine with MolForge

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Related Compounds

5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 119047908
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(naphthalen-2-ylmethyl)propan-1-amine
CID 97025846
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 97229804
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 51131289
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 97096373
2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61046179
N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43757036
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propylethane-1,2-diamine
CID 55030455
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 167833825
1-(3,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 62996155
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-phenylbutan-1-amine
CID 17156616

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine?
The IUPAC name of 5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine (CID 124731296) is 5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine?
The canonical SMILES for 5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine is CC[C@@H](NCc1ccc(N(C)CC)nc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine?
The InChIKey is ITOHAOGVXCHIBC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-17(16-7-8-18-19(12-16)25-11-10-24-18)21-13-15-6-9-20(22-14-15)23(3)5-2/h6-9,12,14,17,21H,4-5,10-11,13H2,1-3H3/t17-/m1/s1.
What are the key properties of 5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine?
5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine has a molecular weight of 341.46 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine is sourced from PubChem (CID 124731296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).