6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,3,4-tetrahydropyridine

C14H17NO — CID 171618608

IUPAC6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1CC=C(c2ccc3c(c2)OCC3)NC1
InChIInChI=1S/C14H17NO/c1-10-2-5-13(15-9-10)12-4-3-11-6-7-16-14(11)8-12/h3-5,8,10,15H,2,6-7,9H2,1H3
InChIKeyWEXBEZUCLLHMOA-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.59
Rot. Bonds1

About 6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,3,4-tetrahydropyridine

6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 171618608) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,3,4-tetrahydropyridine
PubChem CID171618608
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,3,4-tetrahydropyridine
SMILESCC1CC=C(c2ccc3c(c2)OCC3)NC1
InChIInChI=1S/C14H17NO/c1-10-2-5-13(15-9-10)12-4-3-11-6-7-16-14(11)8-12/h3-5,8,10,15H,2,6-7,9H2,1H3
InChIKeyWEXBEZUCLLHMOA-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (3S)-6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169114261
5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole
CID 58740446
2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one
CID 172782601
7-(4-methylphenyl)-3,4-dihydro-2H-chromene
CID 144987040
6-nitroso-2,3-dihydro-1-benzofuran
CID 143738609
6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
(3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine
CID 96748686
4-(2,3-dihydro-1-benzofuran-6-yl)-6-methylpiperidine-3-carboxylic acid
CID 82624016
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969
2-(2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzonitrile
CID 96595651
5-(2,3-dihydro-1-benzofuran-6-yl)-2-methyl-1,3-benzothiazole
CID 155911185
6-(2,3-dihydro-1-benzofuran-6-yl)-2,2-dimethylpiperazine
CID 82390274

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,3,4-tetrahydropyridine (CID 171618608) is 6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,3,4-tetrahydropyridine is CC1CC=C(c2ccc3c(c2)OCC3)NC1.
What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is WEXBEZUCLLHMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-2-5-13(15-9-10)12-4-3-11-6-7-16-14(11)8-12/h3-5,8,10,15H,2,6-7,9H2,1H3.
What are the key properties of 6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,3,4-tetrahydropyridine?
6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 215.30 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 171618608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).