[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazol-4-yl]methanamine

C13H15N3O2 — CID 82294718

IUPAC[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazol-4-yl]methanamine
SMILESCc1nc(CN)cn1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H15N3O2/c1-9-15-10(7-14)8-16(9)11-2-3-12-13(6-11)18-5-4-17-12/h2-3,6,8H,4-5,7,14H2,1H3
InChIKeyLRUYQVRONLBVLX-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.41
Rot. Bonds2

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

[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazol-4-yl]methanamine (PubChem CID 82294718) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazol-4-yl]methanamine
PubChem CID82294718
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazol-4-yl]methanamine
SMILESCc1nc(CN)cn1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H15N3O2/c1-9-15-10(7-14)8-16(9)11-2-3-12-13(6-11)18-5-4-17-12/h2-3,6,8H,4-5,7,14H2,1H3
InChIKeyLRUYQVRONLBVLX-UHFFFAOYSA-N
XLogP1.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1,3-benzodioxol-5-yl)-2-methylimidazol-4-yl]acetic acid
CID 82301415
[1-(3-chlorophenyl)-2-methylimidazol-4-yl]methanamine
CID 82286825
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]sulfanylethanamine
CID 94700120
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazol-4-yl]methanamine
CID 114702865
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-imidazole-2-thione
CID 81334546
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)imidazole-4-carbaldehyde
CID 88927692
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzimidazol-5-amine
CID 62507342
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol
CID 55066745
4-(bromomethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole
CID 55066662
3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole
CID 63384779
4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole
CID 84611196
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine
CID 115552214

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazol-4-yl]methanamine?
The IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazol-4-yl]methanamine (CID 82294718) is [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazol-4-yl]methanamine.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazol-4-yl]methanamine?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazol-4-yl]methanamine is Cc1nc(CN)cn1-c1ccc2c(c1)OCCO2.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazol-4-yl]methanamine?
The InChIKey is LRUYQVRONLBVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-15-10(7-14)8-16(9)11-2-3-12-13(6-11)18-5-4-17-12/h2-3,6,8H,4-5,7,14H2,1H3.
What are the key properties of [1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazol-4-yl]methanamine?
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazol-4-yl]methanamine has a molecular weight of 245.28 g/mol, XLogP of 1.41, 2 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-6-yl)-2-methylimidazol-4-yl]methanamine is sourced from PubChem (CID 82294718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).