1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine

C16H18N2O3 — CID 105175190

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(OC)c1)c1cccc2c1OCCO2
InChIInChI=1S/C16H18N2O3/c1-17-15(11-8-12(19-2)10-18-9-11)13-4-3-5-14-16(13)21-7-6-20-14/h3-5,8-10,15,17H,6-7H2,1-2H3
InChIKeyOFZVRBJBEMTJKF-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.17
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 105175190) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID105175190
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(OC)c1)c1cccc2c1OCCO2
InChIInChI=1S/C16H18N2O3/c1-17-15(11-8-12(19-2)10-18-9-11)13-4-3-5-14-16(13)21-7-6-20-14/h3-5,8-10,15,17H,6-7H2,1-2H3
InChIKeyOFZVRBJBEMTJKF-UHFFFAOYSA-N
XLogP2.17
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025757
1-(2,5-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026152
1-(2,6-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025959
1-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-methylmethanamine
CID 105099430
1-(3-methoxy-4-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105065961
[(2-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105191302
1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025878
1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175369
1-(5-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 54967829
[(2,3-dichlorophenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329733
1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 105025977
[(2-fluoro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105329831

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine (CID 105175190) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine is CNC(c1cncc(OC)c1)c1cccc2c1OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is OFZVRBJBEMTJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-17-15(11-8-12(19-2)10-18-9-11)13-4-3-5-14-16(13)21-7-6-20-14/h3-5,8-10,15,17H,6-7H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 286.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 105175190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).