1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol

C17H20N2O — CID 139617023

IUPAC1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESNCC1c2ccc(O)cc2CCN1Cc1ccccc1
InChIInChI=1S/C17H20N2O/c18-11-17-16-7-6-15(20)10-14(16)8-9-19(17)12-13-4-2-1-3-5-13/h1-7,10,17,20H,8-9,11-12,18H2
InChIKeyRYNDTSUIEZYWTL-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.45
Rot. Bonds3

About 1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol

1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 139617023) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID139617023
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESNCC1c2ccc(O)cc2CCN1Cc1ccccc1
InChIInChI=1S/C17H20N2O/c18-11-17-16-7-6-15(20)10-14(16)8-9-19(17)12-13-4-2-1-3-5-13/h1-7,10,17,20H,8-9,11-12,18H2
InChIKeyRYNDTSUIEZYWTL-UHFFFAOYSA-N
XLogP2.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-chloro-4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 103038322
[2-[(3,5-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 105404068
[2-[(3-chloro-2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 102856242
4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide
CID 71908886
5-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-chlorobenzenesulfonamide
CID 154872518
2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 23333363
(8R)-9-benzyl-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-5-ol
CID 146498040
(1R)-2-benzyl-6,7-dimethoxy-1-(nitromethyl)-3,4-dihydro-1H-isoquinoline
CID 125474157
1-O-benzyl 2-O-tert-butyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate
CID 121316327
2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide
CID 63949438
6-hydroxy-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 68884922
2-(4-hydroxyphenyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 69474792

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol (CID 139617023) is 1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol is NCC1c2ccc(O)cc2CCN1Cc1ccccc1.
What is the InChIKey of 1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is RYNDTSUIEZYWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-11-17-16-7-6-15(20)10-14(16)8-9-19(17)12-13-4-2-1-3-5-13/h1-7,10,17,20H,8-9,11-12,18H2.
What are the key properties of 1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol?
1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 268.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-benzyl-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 139617023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).