3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol

C13H15NO — CID 164531538

IUPAC3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol
SMILESCC1NCCc2cc(C#CCO)ccc21
InChIInChI=1S/C13H15NO/c1-10-13-5-4-11(3-2-8-15)9-12(13)6-7-14-10/h4-5,9-10,14-15H,6-8H2,1H3
InChIKeyGGRAHVCOHYVSCV-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.24
Rot. Bonds

About 3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol

3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol (PubChem CID 164531538) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol
PubChem CID164531538
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol
SMILESCC1NCCc2cc(C#CCO)ccc21
InChIInChI=1S/C13H15NO/c1-10-13-5-4-11(3-2-8-15)9-12(13)6-7-14-10/h4-5,9-10,14-15H,6-8H2,1H3
InChIKeyGGRAHVCOHYVSCV-UHFFFAOYSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol
CID 169485135
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CID 130607773
1-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CID 83963307
2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol
CID 83956538
(1R)-1-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroisoquinoline
CID 130741278
(1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 178029828
2-methyl-5-pent-1-ynyl-2,3-dihydro-1H-indene
CID 158734941
(1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7157327
3-(3-trimethylsilylphenyl)prop-2-yn-1-ol
CID 169485183
4-(3-hydroxyprop-1-ynyl)benzene-1,2-diol
CID 169484709
ethane;3-(4-fluorophenyl)prop-2-yn-1-ol
CID 163382607
1,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 84655716

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol (CID 164531538) is 3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol is CC1NCCc2cc(C#CCO)ccc21.
What is the InChIKey of 3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol?
The InChIKey is GGRAHVCOHYVSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10-13-5-4-11(3-2-8-15)9-12(13)6-7-14-10/h4-5,9-10,14-15H,6-8H2,1H3.
What are the key properties of 3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol?
3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol has a molecular weight of 201.27 g/mol, XLogP of 1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol is sourced from PubChem (CID 164531538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).