5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride

C17H22ClN3O3 — CID 56808745

IUPAC5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride
SMILESCOc1cc(CNCc2ccc(N(C)C)nc2)cc2c1OCO2.Cl
InChIInChI=1S/C17H21N3O3.ClH/c1-20(2)16-5-4-12(10-19-16)8-18-9-13-6-14(21-3)17-15(7-13)22-11-23-17;/h4-7,10,18H,8-9,11H2,1-3H3;1H
InChIKeyFHYRUFRKKUTPBZ-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.60
Rot. Bonds6

About 5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride

5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride (PubChem CID 56808745) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride
PubChem CID56808745
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride
SMILESCOc1cc(CNCc2ccc(N(C)C)nc2)cc2c1OCO2.Cl
InChIInChI=1S/C17H21N3O3.ClH/c1-20(2)16-5-4-12(10-19-16)8-18-9-13-6-14(21-3)17-15(7-13)22-11-23-17;/h4-7,10,18H,8-9,11H2,1-3H3;1H
InChIKeyFHYRUFRKKUTPBZ-UHFFFAOYSA-N
XLogP2.60
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride with MolForge

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Related Compounds

N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-pyridin-2-ylethanamine
CID 115572033
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 134686709
[2-fluoro-4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]phenyl]methanol
CID 47627014
N,N'-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]heptane-1,7-diamine
CID 53484108
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 115639078
2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethanol
CID 115572492
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115592517
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]prop-2-en-1-amine
CID 115572023
N'-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 60590100
1-(7-methoxy-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 47185966
6-fluoro-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyridin-2-amine
CID 116813065
4-methoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butan-1-amine
CID 115608350

Frequently Asked Questions

What is the IUPAC name of 5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride?
The IUPAC name of 5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride (CID 56808745) is 5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride?
The canonical SMILES for 5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride is COc1cc(CNCc2ccc(N(C)C)nc2)cc2c1OCO2.Cl.
What is the InChIKey of 5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride?
The InChIKey is FHYRUFRKKUTPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.ClH/c1-20(2)16-5-4-12(10-19-16)8-18-9-13-6-14(21-3)17-15(7-13)22-11-23-17;/h4-7,10,18H,8-9,11H2,1-3H3;1H.
What are the key properties of 5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride?
5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 56808745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).