[2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine

C16H18N2O3 — CID 126483947

IUPAC[2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine
SMILESCOc1ccc(C2Oc3ccc(CN)cc3OC2C)cn1
InChIInChI=1S/C16H18N2O3/c1-10-16(12-4-6-15(19-2)18-9-12)21-13-5-3-11(8-17)7-14(13)20-10/h3-7,9-10,16H,8,17H2,1-2H3
InChIKeyFAXHTYUTQQIJNN-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.45
Rot. Bonds3

About [2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine

[2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine (PubChem CID 126483947) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is [2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine
PubChem CID126483947
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name[2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine
SMILESCOc1ccc(C2Oc3ccc(CN)cc3OC2C)cn1
InChIInChI=1S/C16H18N2O3/c1-10-16(12-4-6-15(19-2)18-9-12)21-13-5-3-11(8-17)7-14(13)20-10/h3-7,9-10,16H,8,17H2,1-2H3
InChIKeyFAXHTYUTQQIJNN-UHFFFAOYSA-N
XLogP2.45
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine
CID 126484053
3-[[(3S)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
CID 167140748
(2,4-dimethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 117046214
(2R,3R)-2-methyl-6-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine
CID 162788288
5-[6-(imidazol-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-2-methoxypyridine
CID 172834777
6-methoxy-3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazo[4,5-b]pyridine
CID 137405102
2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 126484097
5-[3-(chloromethyl)oxolan-2-yl]-2-methoxypyridine
CID 114939001
2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile
CID 151607040
2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 62989531
2-amino-5-(6-methoxy-3-pyridinyl)-1,3-oxazol-4-one
CID 114939096
3-(6-methoxy-3-pyridinyl)-2,2-dimethylcyclopropan-1-amine
CID 130488531

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine?
The IUPAC name of [2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine (CID 126483947) is [2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine.
What is the SMILES notation for [2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine?
The canonical SMILES for [2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine is COc1ccc(C2Oc3ccc(CN)cc3OC2C)cn1.
What is the InChIKey of [2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine?
The InChIKey is FAXHTYUTQQIJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-16(12-4-6-15(19-2)18-9-12)21-13-5-3-11(8-17)7-14(13)20-10/h3-7,9-10,16H,8,17H2,1-2H3.
What are the key properties of [2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine?
[2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine has a molecular weight of 286.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxy-3-pyridinyl)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]methanamine is sourced from PubChem (CID 126483947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).