1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

C19H29NO2 — CID 90335311

IUPAC1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESOC(COC1CCCCCC1)CN1CCc2ccccc2C1
InChIInChI=1S/C19H29NO2/c21-18(15-22-19-9-3-1-2-4-10-19)14-20-12-11-16-7-5-6-8-17(16)13-20/h5-8,18-19,21H,1-4,9-15H2
InChIKeyANZMDOQXSOYRRI-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.14
Rot. Bonds5

About 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 90335311) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
PubChem CID90335311
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESOC(COC1CCCCCC1)CN1CCc2ccccc2C1
InChIInChI=1S/C19H29NO2/c21-18(15-22-19-9-3-1-2-4-10-19)14-20-12-11-16-7-5-6-8-17(16)13-20/h5-8,18-19,21H,1-4,9-15H2
InChIKeyANZMDOQXSOYRRI-UHFFFAOYSA-N
XLogP3.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[Benzyl(2-hydroxyethyl)amino]-3-[(2-ethylhexyl)oxy]propan-2-ol
CID 70331967
2-[3-(3-Phenylpropoxy)propyl]-1,2,3,4-tetrahydro-isoquinoline
CID 44563682
(2R)-1-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxan-4-yloxy)propan-2-ol
CID 97348009
1-(benzyloxy)-3-(3,4-dihydro-2(1H)-isoquinolinyl)-2-propanol hydrochloride
CID 2882944
1-benzhydryloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 4963217
1-(benzyloxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
CID 2882945
1-(cyclopentyloxy)-3-(3,4-dihydro-2(1H)-isoquinolinyl)-2-propanol hydrochloride
CID 44117049
1-(1-benzylpyrrolidin-3-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 90335086
1-(cyclohexylmethoxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
CID 90335143
1-(cyclopropylmethoxy)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-2-ol
CID 90335147
1-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 90335203
1-(1-benzylpiperidin-4-yl)oxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 90335283

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The IUPAC name of 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 90335311) is 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The canonical SMILES for 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is OC(COC1CCCCCC1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The InChIKey is ANZMDOQXSOYRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c21-18(15-22-19-9-3-1-2-4-10-19)14-20-12-11-16-7-5-6-8-17(16)13-20/h5-8,18-19,21H,1-4,9-15H2.
What are the key properties of 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 303.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyloxy-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 90335311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).