[1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropyl]methanamine

C17H23NO2 — CID 117436332

IUPAC[1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropyl]methanamine
SMILESCc1c2c(c(C3(CN)CC3)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C17H23NO2/c1-9-6-12-11(3)15-13(7-10(2)19-15)14(16(12)20-9)17(8-18)4-5-17/h9-10H,4-8,18H2,1-3H3
InChIKeyLOMNGOXKEZVZKE-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.63
Rot. Bonds2

About [1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropyl]methanamine

[1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropyl]methanamine (PubChem CID 117436332) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropyl]methanamine
PubChem CID117436332
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name[1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropyl]methanamine
SMILESCc1c2c(c(C3(CN)CC3)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C17H23NO2/c1-9-6-12-11(3)15-13(7-10(2)19-15)14(16(12)20-9)17(8-18)4-5-17/h9-10H,4-8,18H2,1-3H3
InChIKeyLOMNGOXKEZVZKE-UHFFFAOYSA-N
XLogP2.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropyl]methanamine with MolForge

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Related Compounds

1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine
CID 117402359
3-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)butan-1-amine
CID 117440762
(2R)-5-bromo-2,4,6,7-tetramethyl-2,3-dihydro-1-benzofuran
CID 66759727
N-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]hydroxylamine
CID 117376308
2-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde
CID 115010510
4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine
CID 117485706
1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine
CID 117488571
1-(4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid
CID 117493605
[1-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanamine
CID 117402949
[1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
CID 117338504
[1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine
CID 117388160
2-[1-(aminomethyl)cyclopropyl]-4-bromo-3,5,6-trimethylphenol
CID 117112194

Frequently Asked Questions

What is the IUPAC name of [1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropyl]methanamine (CID 117436332) is [1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropyl]methanamine is Cc1c2c(c(C3(CN)CC3)c3c1OC(C)C3)OC(C)C2.
What is the InChIKey of [1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropyl]methanamine?
The InChIKey is LOMNGOXKEZVZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-9-6-12-11(3)15-13(7-10(2)19-15)14(16(12)20-9)17(8-18)4-5-17/h9-10H,4-8,18H2,1-3H3.
What are the key properties of [1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropyl]methanamine?
[1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropyl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropyl]methanamine is sourced from PubChem (CID 117436332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).