2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline

C14H19NO — CID 10130630

IUPAC2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccccc2C1C1CCCO1
InChIInChI=1S/C14H19NO/c1-15-9-8-11-5-2-3-6-12(11)14(15)13-7-4-10-16-13/h2-3,5-6,13-14H,4,7-10H2,1H3
InChIKeyNIRVSFOGPJHFPV-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.39
Rot. Bonds1

About 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline

2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 10130630) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID10130630
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2ccccc2C1C1CCCO1
InChIInChI=1S/C14H19NO/c1-15-9-8-11-5-2-3-6-12(11)14(15)13-7-4-10-16-13/h2-3,5-6,13-14H,4,7-10H2,1H3
InChIKeyNIRVSFOGPJHFPV-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-heptoxyethyl)-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium iodide
CID 171357272
(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine
CID 132530885
(3R,5R)-5-methyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 11074832
2-(2-undecoxyethyl)-3,4-dihydro-1H-isoquinoline
CID 22091439
Phenyl propyl morpholine
CID 70003996
10-Phenyl-1-oxa-9-azaspiro[4.5]decane
CID 70186210
1-ethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine
CID 29255338
3-(5-Fluoro-2-propylphenyl)-4-methylmorpholine
CID 129075303
3-(2-Ethyl-5-fluorophenyl)-4-methylmorpholine
CID 155460762
5-fluoro-1-(methoxymethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 164042146
8-fluoro-2-[(4R)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline
CID 174236278
8-fluoro-2-[(4S)-5-oxaspiro[3.4]octan-3-yl]-3,4-dihydro-1H-isoquinoline
CID 174236313

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline (CID 10130630) is 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline is CN1CCc2ccccc2C1C1CCCO1.
What is the InChIKey of 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is NIRVSFOGPJHFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-15-9-8-11-5-2-3-6-12(11)14(15)13-7-4-10-16-13/h2-3,5-6,13-14H,4,7-10H2,1H3.
What are the key properties of 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline?
2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 217.31 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxolan-2-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 10130630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).