(1R,3R)-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol

C14H22NO2+ — CID 15489411

IUPAC(1R,3R)-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol
SMILESCOc1cc(O)c2c(c1)C[C@@H](C)[N+](C)(C)[C@@H]2C
InChIInChI=1S/C14H21NO2/c1-9-6-11-7-12(17-5)8-13(16)14(11)10(2)15(9,3)4/h7-10H,6H2,1-5H3/p+1/t9-,10-/m1/s1
InChIKeyAZAIYNWEFAQYGL-NXEZZACHSA-O
MW236.33 g/mol
LogP2.48
Rot. Bonds1

About (1R,3R)-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol

(1R,3R)-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol (PubChem CID 15489411) has the molecular formula C14H22NO2+ and a molecular weight of 236.33 g/mol. Its IUPAC name is (1R,3R)-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol.

Molecular Properties

Compound Name(1R,3R)-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol
PubChem CID15489411
Molecular FormulaC14H22NO2+
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name(1R,3R)-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol
SMILESCOc1cc(O)c2c(c1)C[C@@H](C)[N+](C)(C)[C@@H]2C
InChIInChI=1S/C14H21NO2/c1-9-6-11-7-12(17-5)8-13(16)14(11)10(2)15(9,3)4/h7-10H,6H2,1-5H3/p+1/t9-,10-/m1/s1
InChIKeyAZAIYNWEFAQYGL-NXEZZACHSA-O
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (1R,3R)-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol with MolForge

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Launch Full Analysis

Related Compounds

(1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 15060562
(1S,3S)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 11790412
(3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 122394142
(2S,3R)-4,6-dimethoxy-3-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-inden-5-ol
CID 102057742
2,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol
CID 3029148
7,15,23-trimethoxytetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol
CID 102526280
2-[(2S)-azetidin-2-yl]-3,5-dimethoxyphenol;hydrochloride
CID 171196834
2-methoxy-9,10-dihydrophenanthrene-4,5-diol
CID 11506999
7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol
CID 13123193
3-chloro-2,5-dimethoxyphenol
CID 84661730
14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol
CID 11196307
N-(4-hydroxy-6-methoxy-2,3-dihydro-1-benzofuran-3-yl)methanesulfonamide
CID 139815678

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol?
The IUPAC name of (1R,3R)-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol (CID 15489411) is (1R,3R)-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol.
What is the SMILES notation for (1R,3R)-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol?
The canonical SMILES for (1R,3R)-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol is COc1cc(O)c2c(c1)C[C@@H](C)[N+](C)(C)[C@@H]2C.
What is the InChIKey of (1R,3R)-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol?
The InChIKey is AZAIYNWEFAQYGL-NXEZZACHSA-O. The full InChI is InChI=1S/C14H21NO2/c1-9-6-11-7-12(17-5)8-13(16)14(11)10(2)15(9,3)4/h7-10H,6H2,1-5H3/p+1/t9-,10-/m1/s1.
What are the key properties of (1R,3R)-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol?
(1R,3R)-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol has a molecular weight of 236.33 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-6-methoxy-1,2,2,3-tetramethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol is sourced from PubChem (CID 15489411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).