7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine

C15H20N4O2 — CID 63014602

IUPAC7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCN(Cc1cc2c(cc1N)OCCO2)Cc1nccn1C
InChIInChI=1S/C15H20N4O2/c1-18(10-15-17-3-4-19(15)2)9-11-7-13-14(8-12(11)16)21-6-5-20-13/h3-4,7-8H,5-6,9-10,16H2,1-2H3
InChIKeyUARWJSBQGNJONO-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.41
Rot. Bonds4

About 7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine

7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 63014602) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound Name7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID63014602
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCN(Cc1cc2c(cc1N)OCCO2)Cc1nccn1C
InChIInChI=1S/C15H20N4O2/c1-18(10-15-17-3-4-19(15)2)9-11-7-13-14(8-12(11)16)21-6-5-20-13/h3-4,7-8H,5-6,9-10,16H2,1-2H3
InChIKeyUARWJSBQGNJONO-UHFFFAOYSA-N
XLogP1.41
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 55144419
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65459116
7-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43259701
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine
CID 104740060
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine
CID 63025119
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 82979591
[3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 55144617
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]but-2-ene-1,4-diamine
CID 77110593
[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63888079
2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 112616300

Frequently Asked Questions

What is the IUPAC name of 7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of 7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine (CID 63014602) is 7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for 7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for 7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine is CN(Cc1cc2c(cc1N)OCCO2)Cc1nccn1C.
What is the InChIKey of 7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is UARWJSBQGNJONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18(10-15-17-3-4-19(15)2)9-11-7-13-14(8-12(11)16)21-6-5-20-13/h3-4,7-8H,5-6,9-10,16H2,1-2H3.
What are the key properties of 7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 288.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 63014602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).