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

C19H29NO2 — CID 90335143

IUPAC1-(cyclohexylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESOC(COCC1CCCCC1)CN1CCc2ccccc2C1
InChIInChI=1S/C19H29NO2/c21-19(15-22-14-16-6-2-1-3-7-16)13-20-11-10-17-8-4-5-9-18(17)12-20/h4-5,8-9,16,19,21H,1-3,6-7,10-15H2
InChIKeySSJVCLGHAOTXNC-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.00
Rot. Bonds6

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

1-(cyclohexylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 90335143) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
PubChem CID90335143
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-(cyclohexylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESOC(COCC1CCCCC1)CN1CCc2ccccc2C1
InChIInChI=1S/C19H29NO2/c21-19(15-22-14-16-6-2-1-3-7-16)13-20-11-10-17-8-4-5-9-18(17)12-20/h4-5,8-9,16,19,21H,1-3,6-7,10-15H2
InChIKeySSJVCLGHAOTXNC-UHFFFAOYSA-N
XLogP3.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The IUPAC name of 1-(cyclohexylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 90335143) is 1-(cyclohexylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(cyclohexylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The canonical SMILES for 1-(cyclohexylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is OC(COCC1CCCCC1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(cyclohexylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The InChIKey is SSJVCLGHAOTXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c21-19(15-22-14-16-6-2-1-3-7-16)13-20-11-10-17-8-4-5-9-18(17)12-20/h4-5,8-9,16,19,21H,1-3,6-7,10-15H2.
What are the key properties of 1-(cyclohexylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
1-(cyclohexylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 303.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 90335143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).