(8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine

C15H19NO2S — CID 114378429

IUPAC(8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine
SMILESCC(C)(C)c1c(CN)sc2cc3c(cc12)OCCO3
InChIInChI=1S/C15H19NO2S/c1-15(2,3)14-9-6-10-11(18-5-4-17-10)7-12(9)19-13(14)8-16/h6-7H,4-5,8,16H2,1-3H3
InChIKeyZNWNOWXJUOQYBS-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.43
Rot. Bonds1

About (8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine

(8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine (PubChem CID 114378429) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is (8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine.

Molecular Properties

Compound Name(8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine
PubChem CID114378429
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name(8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine
SMILESCC(C)(C)c1c(CN)sc2cc3c(cc12)OCCO3
InChIInChI=1S/C15H19NO2S/c1-15(2,3)14-9-6-10-11(18-5-4-17-10)7-12(9)19-13(14)8-16/h6-7H,4-5,8,16H2,1-3H3
InChIKeyZNWNOWXJUOQYBS-UHFFFAOYSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(9-tert-butyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)-N-methylmethanamine
CID 114378456
(9-ethyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine
CID 113459908
2-tert-butyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole
CID 59857437
5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene
CID 20661294
N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine
CID 115480588
N-methyl-1-(9-propyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methanamine
CID 114378449
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 116855601
2,25-bis(2-methylpropyl)-6,9,12,15,18,21,29,32,35,38,41,44-dodecaoxapentacyclo[24.20.0.03,24.05,22.028,45]hexatetraconta-1,3,5(22),23,25,27,45-heptaene
CID 15832776
2-(2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methylpropan-1-amine
CID 116995467
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride
CID 86346260
8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117
3-methyl-3-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine
CID 115134462

Frequently Asked Questions

What is the IUPAC name of (8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine?
The IUPAC name of (8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine (CID 114378429) is (8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine.
What is the SMILES notation for (8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine?
The canonical SMILES for (8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine is CC(C)(C)c1c(CN)sc2cc3c(cc12)OCCO3.
What is the InChIKey of (8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine?
The InChIKey is ZNWNOWXJUOQYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-15(2,3)14-9-6-10-11(18-5-4-17-10)7-12(9)19-13(14)8-16/h6-7H,4-5,8,16H2,1-3H3.
What are the key properties of (8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine?
(8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine has a molecular weight of 277.39 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-tert-butyl-2,3-dihydrothieno[2,3-g][1,4]benzodioxin-7-yl)methanamine is sourced from PubChem (CID 114378429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).