2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine

C14H19N3O2 — CID 84638618

IUPAC2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine
SMILESCn1c(C(C)(C)CN)nc2cc3c(cc21)OCCO3
InChIInChI=1S/C14H19N3O2/c1-14(2,8-15)13-16-9-6-11-12(19-5-4-18-11)7-10(9)17(13)3/h6-7H,4-5,8,15H2,1-3H3
InChIKeyHWAQZKPLBCNNRH-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.58
Rot. Bonds2

About 2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine

2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine (PubChem CID 84638618) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine
PubChem CID84638618
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine
SMILESCn1c(C(C)(C)CN)nc2cc3c(cc21)OCCO3
InChIInChI=1S/C14H19N3O2/c1-14(2,8-15)13-16-9-6-11-12(19-5-4-18-11)7-10(9)17(13)3/h6-7H,4-5,8,15H2,1-3H3
InChIKeyHWAQZKPLBCNNRH-UHFFFAOYSA-N
XLogP1.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine
CID 84632810
2-methyl-1-[(7-methyl-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)sulfanyl]propan-2-amine
CID 84617348
3-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-amine
CID 82145837
2-(6-tert-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)propan-1-amine
CID 82145607
2-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145826
2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine
CID 116995467
2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine
CID 82146460
2-[2-(2-fluorophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]ethanamine
CID 94749003
4-[(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)sulfanyl]butanenitrile
CID 84617164
3-[2-(4-methylphenoxy)ethyl]-2-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazole
CID 53048973
2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145885
2-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145913

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine (CID 84638618) is 2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine is Cn1c(C(C)(C)CN)nc2cc3c(cc21)OCCO3.
What is the InChIKey of 2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine?
The InChIKey is HWAQZKPLBCNNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,8-15)13-16-9-6-11-12(19-5-4-18-11)7-10(9)17(13)3/h6-7H,4-5,8,15H2,1-3H3.
What are the key properties of 2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine?
2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 84638618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).