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

C14H19N3O2 — CID 82145800

IUPAC1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
SMILESCCC(N)Cn1c(C)nc2cc3c(cc21)OCCO3
InChIInChI=1S/C14H19N3O2/c1-3-10(15)8-17-9(2)16-11-6-13-14(7-12(11)17)19-5-4-18-13/h6-7,10H,3-5,8,15H2,1-2H3
InChIKeyWHQQFPGBJXIGOV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.85
Rot. Bonds3

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

1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine (PubChem CID 82145800) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
PubChem CID82145800
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
SMILESCCC(N)Cn1c(C)nc2cc3c(cc21)OCCO3
InChIInChI=1S/C14H19N3O2/c1-3-10(15)8-17-9(2)16-11-6-13-14(7-12(11)17)19-5-4-18-13/h6-7,10H,3-5,8,15H2,1-2H3
InChIKeyWHQQFPGBJXIGOV-UHFFFAOYSA-N
XLogP1.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
CID 82145845
1-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
CID 82145833
1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
CID 82145915
4-[(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)methyl]aniline
CID 82150112
1-[3-(2-methylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-yl]ethanamine
CID 82025029
(2R)-1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 94866601
1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 4297965
N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide
CID 82150232
3-[2-(1-aminoethyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]propane-1,2-diol
CID 82025032
2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol
CID 82149388
(2R)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-2-ol
CID 25495255
3-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propan-1-amine
CID 82145837

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine?
The IUPAC name of 1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine (CID 82145800) is 1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine?
The canonical SMILES for 1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine is CCC(N)Cn1c(C)nc2cc3c(cc21)OCCO3.
What is the InChIKey of 1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine?
The InChIKey is WHQQFPGBJXIGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-10(15)8-17-9(2)16-11-6-13-14(7-12(11)17)19-5-4-18-13/h6-7,10H,3-5,8,15H2,1-2H3.
What are the key properties of 1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine?
1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine has a molecular weight of 261.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine is sourced from PubChem (CID 82145800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).