3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol

C12H17NO — CID 105445306

IUPAC3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol
SMILESOCCCc1cccc2c1CCNC2
InChIInChI=1S/C12H17NO/c14-8-2-5-10-3-1-4-11-9-13-7-6-12(10)11/h1,3-4,13-14H,2,5-9H2
InChIKeyBJTIMGFVYBSPCA-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.26
Rot. Bonds3

About 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol

3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol (PubChem CID 105445306) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol
PubChem CID105445306
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol
SMILESOCCCc1cccc2c1CCNC2
InChIInChI=1S/C12H17NO/c14-8-2-5-10-3-1-4-11-9-13-7-6-12(10)11/h1,3-4,13-14H,2,5-9H2
InChIKeyBJTIMGFVYBSPCA-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-nonyl-1,2,3,4-tetrahydroisoquinoline
CID 106778358
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine
CID 115105041
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 115105046
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-6-yl)propanoic acid
CID 105474158
1-(azepan-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-one
CID 115105051
6-butyl-2,3,4,5-tetrahydro-1H-3-benzazepine;ethane
CID 142198128
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778058
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778084
5-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104234
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol?
The IUPAC name of 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol (CID 105445306) is 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol.
What is the SMILES notation for 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol?
The canonical SMILES for 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol is OCCCc1cccc2c1CCNC2.
What is the InChIKey of 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol?
The InChIKey is BJTIMGFVYBSPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-8-2-5-10-3-1-4-11-9-13-7-6-12(10)11/h1,3-4,13-14H,2,5-9H2.
What are the key properties of 3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol?
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 1.26, 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-5-yl)propan-1-ol is sourced from PubChem (CID 105445306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).