1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline

C12H17NO — CID 66868044

IUPAC1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)OC1NCCc2ccccc21
InChIInChI=1S/C12H17NO/c1-9(2)14-12-11-6-4-3-5-10(11)7-8-13-12/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyYTHCAHYBBACPKY-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.26
Rot. Bonds2

About 1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline

1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 66868044) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID66868044
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)OC1NCCc2ccccc21
InChIInChI=1S/C12H17NO/c1-9(2)14-12-11-6-4-3-5-10(11)7-8-13-12/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyYTHCAHYBBACPKY-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide
CID 174778552
1-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline
CID 91105632
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795
(2S)-2-hydroxy-2-[[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]oxy]butanoic acid
CID 124639143
1-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 174787793
1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol
CID 583448
1-[(4-methylsulfonylphenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 175846511
1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
CID 20976200
(1S)-1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 42054648
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone
CID 99849919
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 79177948

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline (CID 66868044) is 1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline is CC(C)OC1NCCc2ccccc21.
What is the InChIKey of 1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is YTHCAHYBBACPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)14-12-11-6-4-3-5-10(11)7-8-13-12/h3-6,9,12-13H,7-8H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 191.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 66868044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).