[6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol

C17H27NO3 — CID 146351009

IUPAC[6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCc1cc(CO)c(C)c2c1CN(C(O)OC(C)(C)C)CC2
InChIInChI=1S/C17H27NO3/c1-11-8-13(10-19)12(2)14-6-7-18(9-15(11)14)16(20)21-17(3,4)5/h8,16,19-20H,6-7,9-10H2,1-5H3
InChIKeyGMWHFRSESXOXTN-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.24
Rot. Bonds3

About [6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol

[6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 146351009) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name[6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID146351009
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name[6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCc1cc(CO)c(C)c2c1CN(C(O)OC(C)(C)C)CC2
InChIInChI=1S/C17H27NO3/c1-11-8-13(10-19)12(2)14-6-7-18(9-15(11)14)16(20)21-17(3,4)5/h8,16,19-20H,6-7,9-10H2,1-5H3
InChIKeyGMWHFRSESXOXTN-UHFFFAOYSA-N
XLogP2.24
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol 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

1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one
CID 148583764
(1-cyclopropyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-[(2-methylpropan-2-yl)oxy]methanol
CID 123874112
1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one
CID 177198291
[6,8-difluoro-7-(1H-pyrazolo[4,3-d]pyrimidin-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 146648704
(4-chloro-2-methoxy-3,5-dimethylphenyl)methanol
CID 84669757
[3-(2-methyliminoethylidene)azetidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 123265578
(2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol
CID 142979372
(2-methylpropan-2-yl)oxy-[4-[5-phenyl-6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methanol
CID 146861860
1-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1H-imidazol-2-yl]methyl]-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperazin-2-one
CID 123502576
5-formyl-1-[2-[4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperazin-1-yl]propyl]-4-methylindole-2-carbonitrile
CID 170064601
(6,7-dimethyl-1,3-benzodioxol-4-yl)methanol
CID 117278326
tert-butyl 6-amino-5,7-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 167387612

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of [6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol (CID 146351009) is [6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for [6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for [6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol is Cc1cc(CO)c(C)c2c1CN(C(O)OC(C)(C)C)CC2.
What is the InChIKey of [6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is GMWHFRSESXOXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-11-8-13(10-19)12(2)14-6-7-18(9-15(11)14)16(20)21-17(3,4)5/h8,16,19-20H,6-7,9-10H2,1-5H3.
What are the key properties of [6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol?
[6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 293.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-5,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 146351009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).