4,5,6-trimethoxy-N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine

C13H19NO4 — CID 86192222

IUPAC4,5,6-trimethoxy-N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1cc2c(c(OC)c1OC)C(N(C)C)CO2
InChIInChI=1S/C13H19NO4/c1-14(2)8-7-18-9-6-10(15-3)12(16-4)13(17-5)11(8)9/h6,8H,7H2,1-5H3
InChIKeyOXLHQIXKIHVWST-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.71
Rot. Bonds4

About 4,5,6-trimethoxy-N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine

4,5,6-trimethoxy-N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 86192222) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4,5,6-trimethoxy-N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name4,5,6-trimethoxy-N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID86192222
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name4,5,6-trimethoxy-N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1cc2c(c(OC)c1OC)C(N(C)C)CO2
InChIInChI=1S/C13H19NO4/c1-14(2)8-7-18-9-6-10(15-3)12(16-4)13(17-5)11(8)9/h6,8H,7H2,1-5H3
InChIKeyOXLHQIXKIHVWST-UHFFFAOYSA-N
XLogP1.71
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 55269219
(3R,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 10049223
6-[(3S,3aR,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
CID 12697528
5,13,14,15-tetramethoxy-N,N-dimethyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-amine
CID 632120
N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 43589787
2,5,8,11,20-pentamethoxyhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 102452050
(4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540077
(3R,3aS,6S,6aS)-3-(3,5-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 134715183
5,6,7-trimethoxy-9-methyl-3,4a-dihydro-2H-indeno[1,2-b][1,4]dioxine
CID 12008921
3-(2-methoxy-N-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 82978838
2,4,6,8-tetramethoxy-5-(2,4,6-trimethoxyphenyl)-5H-benzo[d][1,3]benzodioxocine
CID 70993959
6,7-dimethoxy-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82230545

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 4,5,6-trimethoxy-N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine (CID 86192222) is 4,5,6-trimethoxy-N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 4,5,6-trimethoxy-N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 4,5,6-trimethoxy-N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine is COc1cc2c(c(OC)c1OC)C(N(C)C)CO2.
What is the InChIKey of 4,5,6-trimethoxy-N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is OXLHQIXKIHVWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-14(2)8-7-18-9-6-10(15-3)12(16-4)13(17-5)11(8)9/h6,8H,7H2,1-5H3.
What are the key properties of 4,5,6-trimethoxy-N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine?
4,5,6-trimethoxy-N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 253.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethoxy-N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 86192222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).