5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine

C17H21N3O2 — CID 97244063

IUPAC5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(CNC[C@H]2COc3ccccc3O2)cn1
InChIInChI=1S/C17H21N3O2/c1-20(2)17-8-7-13(10-19-17)9-18-11-14-12-21-15-5-3-4-6-16(15)22-14/h3-8,10,14,18H,9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyQHBANFGJGKSGCR-AWEZNQCLSA-N
MW299.37 g/mol
LogP2.08
Rot. Bonds5

About 5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine

5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 97244063) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID97244063
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(CNC[C@H]2COc3ccccc3O2)cn1
InChIInChI=1S/C17H21N3O2/c1-20(2)17-8-7-13(10-19-17)9-18-11-14-12-21-15-5-3-4-6-16(15)22-14/h3-8,10,14,18H,9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyQHBANFGJGKSGCR-AWEZNQCLSA-N
XLogP2.08
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine with MolForge

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-methylphenyl)methyl]methanamine
CID 43182095
4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]phenol
CID 867998
4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]benzene-1,2-diol
CID 43182111
4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]benzonitrile
CID 43182118
N-[(3,4-difluorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 43182098
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 111270358
N-[(3-bromo-4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 83232405
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-methyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 94115886
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(2-ethoxyphenyl)methyl]methanamine
CID 78804473
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine
CID 102555105
1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 93254528
N-[(1R)-1-[4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]phenyl]ethyl]methanesulfonamide;hydrochloride
CID 118417109

Frequently Asked Questions

What is the IUPAC name of 5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine (CID 97244063) is 5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(CNC[C@H]2COc3ccccc3O2)cn1.
What is the InChIKey of 5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is QHBANFGJGKSGCR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20(2)17-8-7-13(10-19-17)9-18-11-14-12-21-15-5-3-4-6-16(15)22-14/h3-8,10,14,18H,9,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine?
5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 299.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 97244063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).