(1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

C20H19NO — CID 142828365

IUPAC(1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESOc1ccc2c(c1)[C@H](Cc1cccc3ccccc13)NCC2
InChIInChI=1S/C20H19NO/c22-17-9-8-15-10-11-21-20(19(15)13-17)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-9,13,20-22H,10-12H2/t20-/m0/s1
InChIKeyDPSXGYXHKPCNKP-FQEVSTJZSA-N
MW289.38 g/mol
LogP3.97
Rot. Bonds2

About (1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

(1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 142828365) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is (1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name(1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID142828365
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name(1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESOc1ccc2c(c1)[C@H](Cc1cccc3ccccc13)NCC2
InChIInChI=1S/C20H19NO/c22-17-9-8-15-10-11-21-20(19(15)13-17)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-9,13,20-22H,10-12H2/t20-/m0/s1
InChIKeyDPSXGYXHKPCNKP-FQEVSTJZSA-N
XLogP3.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methanesulfonic acid;(1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 86627064
1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol;1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 159908393
1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 22018521
1-(1H-indol-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 121305536
6-bromo-1-(naphthalen-1-ylmethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 15341883
1-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 46842613
1-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106779751
1-[(3-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 22298077
1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106778410
1-[(5-hydroxy-1H-indol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 3053660
2-(naphthalen-1-ylmethyl)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-9-ol
CID 57139137
(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 96972794

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of (1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 142828365) is (1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for (1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for (1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol is Oc1ccc2c(c1)[C@H](Cc1cccc3ccccc13)NCC2.
What is the InChIKey of (1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is DPSXGYXHKPCNKP-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19NO/c22-17-9-8-15-10-11-21-20(19(15)13-17)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-9,13,20-22H,10-12H2/t20-/m0/s1.
What are the key properties of (1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
(1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 289.38 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 142828365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).