2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinoline

C23H29NO2 — CID 126595090

IUPAC2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)c1ccc2c(c1)NC(CC(C)c1ccc3c(c1)OCCO3)CC2
InChIInChI=1S/C23H29NO2/c1-15(2)18-5-4-17-6-8-20(24-21(17)13-18)12-16(3)19-7-9-22-23(14-19)26-11-10-25-22/h4-5,7,9,13-16,20,24H,6,8,10-12H2,1-3H3
InChIKeyNOHVMRDSAVULLW-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.50
Rot. Bonds4

About 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinoline

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 126595090) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID126595090
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)c1ccc2c(c1)NC(CC(C)c1ccc3c(c1)OCCO3)CC2
InChIInChI=1S/C23H29NO2/c1-15(2)18-5-4-17-6-8-20(24-21(17)13-18)12-16(3)19-7-9-22-23(14-19)26-11-10-25-22/h4-5,7,9,13-16,20,24H,6,8,10-12H2,1-3H3
InChIKeyNOHVMRDSAVULLW-UHFFFAOYSA-N
XLogP5.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

6-[1-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 167208946
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 175626668
azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 159540292
2-[2-(3,4-dihydro-2H-chromen-6-yl)propyl]-7-propan-2-yl-3,4-dihydro-2H-chromene
CID 134351317
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
6-(4-bromopentan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 64720151
7-[2-(4-fluorophenyl)propyl]-17-propan-2-yl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 130279699
methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate
CID 83922196
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
CID 7047685
3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
CID 82077632
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 126595090) is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinoline is CC(C)c1ccc2c(c1)NC(CC(C)c1ccc3c(c1)OCCO3)CC2.
What is the InChIKey of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is NOHVMRDSAVULLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-15(2)18-5-4-17-6-8-20(24-21(17)13-18)12-16(3)19-7-9-22-23(14-19)26-11-10-25-22/h4-5,7,9,13-16,20,24H,6,8,10-12H2,1-3H3.
What are the key properties of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 351.49 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-7-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 126595090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).