2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine

C14H19NO2 — CID 116986250

IUPAC2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine
SMILESCC(CN)Cc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C14H19NO2/c1-9(8-15)6-12-11-3-5-16-13(11)7-10-2-4-17-14(10)12/h7,9H,2-6,8,15H2,1H3
InChIKeyVGAMERKATDNOHV-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.69
Rot. Bonds3

About 2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine

2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine (PubChem CID 116986250) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine
PubChem CID116986250
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine
SMILESCC(CN)Cc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C14H19NO2/c1-9(8-15)6-12-11-3-5-16-13(11)7-10-2-4-17-14(10)12/h7,9H,2-6,8,15H2,1H3
InChIKeyVGAMERKATDNOHV-UHFFFAOYSA-N
XLogP1.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(2R)-1-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-2-yl]acetamide
CID 10543332
2,2,2-trifluoro-N-[(2S)-1-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-2-yl]acetamide
CID 10639049
3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid
CID 115010687
methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
CID 116986293
3-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-methylpropanoic acid
CID 117442454
2,2-dimethyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
CID 113095519
N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199444
1-butan-2-yl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217711
ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate
CID 113095323
N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide
CID 113096330
N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propane-1-sulfonamide
CID 113096080
N,N-dipropyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199457

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine (CID 116986250) is 2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine is CC(CN)Cc1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of 2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine?
The InChIKey is VGAMERKATDNOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(8-15)6-12-11-3-5-16-13(11)7-10-2-4-17-14(10)12/h7,9H,2-6,8,15H2,1H3.
What are the key properties of 2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine?
2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propan-1-amine is sourced from PubChem (CID 116986250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).