3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol

C12H17NO — CID 115105105

IUPAC3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol
SMILESOCCCC1CNCc2ccccc21
InChIInChI=1S/C12H17NO/c14-7-3-5-11-9-13-8-10-4-1-2-6-12(10)11/h1-2,4,6,11,13-14H,3,5,7-9H2
InChIKeyOFYKDTCFZJKZNB-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.65
Rot. Bonds3

About 3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol

3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol (PubChem CID 115105105) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol
PubChem CID115105105
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol
SMILESOCCCC1CNCc2ccccc21
InChIInChI=1S/C12H17NO/c14-7-3-5-11-9-13-8-10-4-1-2-6-12(10)11/h1-2,4,6,11,13-14H,3,5,7-9H2
InChIKeyOFYKDTCFZJKZNB-UHFFFAOYSA-N
XLogP1.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104880
4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 104504964
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
1-pyrrolidin-1-yl-3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-one
CID 115105112
4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 106779335
N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
CID 65262510
4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104294
4-(methylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104290
methyl 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)acetate
CID 91844783
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine
CID 65262461
4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505031
N-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106148133

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol?
The IUPAC name of 3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol (CID 115105105) is 3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol.
What is the SMILES notation for 3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol?
The canonical SMILES for 3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol is OCCCC1CNCc2ccccc21.
What is the InChIKey of 3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol?
The InChIKey is OFYKDTCFZJKZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-7-3-5-11-9-13-8-10-4-1-2-6-12(10)11/h1-2,4,6,11,13-14H,3,5,7-9H2.
What are the key properties of 3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol?
3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol is sourced from PubChem (CID 115105105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).