3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol

C13H18N2O — CID 105472938

IUPAC3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESOc1cccc2c1CNC(CNC1CC1)C2
InChIInChI=1S/C13H18N2O/c16-13-3-1-2-9-6-11(15-8-12(9)13)7-14-10-4-5-10/h1-3,10-11,14-16H,4-8H2
InChIKeyWZHZJFHDRUOSOI-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.16
Rot. Bonds3

About 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol

3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol (PubChem CID 105472938) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol
PubChem CID105472938
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESOc1cccc2c1CNC(CNC1CC1)C2
InChIInChI=1S/C13H18N2O/c16-13-3-1-2-9-6-11(15-8-12(9)13)7-14-10-4-5-10/h1-3,10-11,14-16H,4-8H2
InChIKeyWZHZJFHDRUOSOI-UHFFFAOYSA-N
XLogP1.16
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105438005
3-(diethylaminomethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105494994
3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 84718500
N-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
CID 105456793
3,3-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)cyclopentan-1-amine
CID 114547544
N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
CID 105462026
1-[(3S)-8-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl]ethanone
CID 59916130
(4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-9-ol
CID 14879705
6-(butylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 12581171
3-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol
CID 115063736
(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
CID 105436631
methyl 2-(8-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)acetate
CID 105496163

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol?
The IUPAC name of 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol (CID 105472938) is 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol is Oc1cccc2c1CNC(CNC1CC1)C2.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol?
The InChIKey is WZHZJFHDRUOSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13-3-1-2-9-6-11(15-8-12(9)13)7-14-10-4-5-10/h1-3,10-11,14-16H,4-8H2.
What are the key properties of 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol?
3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol has a molecular weight of 218.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-8-ol is sourced from PubChem (CID 105472938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).