1-propan-2-yloxy-1,4-dihydroisoquinoline

C12H15NO — CID 175902260

IUPAC1-propan-2-yloxy-1,4-dihydroisoquinoline
SMILESCC(C)OC1N=CCc2ccccc21
InChIInChI=1S/C12H15NO/c1-9(2)14-12-11-6-4-3-5-10(11)7-8-13-12/h3-6,8-9,12H,7H2,1-2H3
InChIKeyDJQAGDGGMQZQFM-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.74
Rot. Bonds2

About 1-propan-2-yloxy-1,4-dihydroisoquinoline

1-propan-2-yloxy-1,4-dihydroisoquinoline (PubChem CID 175902260) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-propan-2-yloxy-1,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-propan-2-yloxy-1,4-dihydroisoquinoline
PubChem CID175902260
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-propan-2-yloxy-1,4-dihydroisoquinoline
SMILESCC(C)OC1N=CCc2ccccc21
InChIInChI=1S/C12H15NO/c1-9(2)14-12-11-6-4-3-5-10(11)7-8-13-12/h3-6,8-9,12H,7H2,1-2H3
InChIKeyDJQAGDGGMQZQFM-UHFFFAOYSA-N
XLogP2.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene
CID 101064195
1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 66868044
N-propan-2-yl-2-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine
CID 58384247
(1S,2R)-N-propan-2-yl-2-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine
CID 58384530
propane;13-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaene
CID 144871473
5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene
CID 146253617
1,4-dihydronaphthalen-1-yl(trimethyl)silane
CID 13159062
(1S,2S)-2-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 157427807
7-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 146551698
(6Z)-11-propan-2-yl-8,9,10,11-tetrahydro-5H-benzo[9]annulene
CID 170538993
(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole
CID 158376445
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-1,4-dihydroisoquinoline?
The IUPAC name of 1-propan-2-yloxy-1,4-dihydroisoquinoline (CID 175902260) is 1-propan-2-yloxy-1,4-dihydroisoquinoline.
What is the SMILES notation for 1-propan-2-yloxy-1,4-dihydroisoquinoline?
The canonical SMILES for 1-propan-2-yloxy-1,4-dihydroisoquinoline is CC(C)OC1N=CCc2ccccc21.
What is the InChIKey of 1-propan-2-yloxy-1,4-dihydroisoquinoline?
The InChIKey is DJQAGDGGMQZQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(2)14-12-11-6-4-3-5-10(11)7-8-13-12/h3-6,8-9,12H,7H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-1,4-dihydroisoquinoline?
1-propan-2-yloxy-1,4-dihydroisoquinoline has a molecular weight of 189.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-1,4-dihydroisoquinoline is sourced from PubChem (CID 175902260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).