1-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)cyclohexan-1-ol

C16H23NO — CID 3983838

IUPAC1-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)cyclohexan-1-ol
SMILESCC1(C2(O)CCCCC2)NCCc2ccccc21
InChIInChI=1S/C16H23NO/c1-15(16(18)10-5-2-6-11-16)14-8-4-3-7-13(14)9-12-17-15/h3-4,7-8,17-18H,2,5-6,9-12H2,1H3
InChIKeyVMXYNNOLPQQSFF-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.74
Rot. Bonds1

About 1-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)cyclohexan-1-ol

1-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)cyclohexan-1-ol (PubChem CID 3983838) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)cyclohexan-1-ol
PubChem CID3983838
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)cyclohexan-1-ol
SMILESCC1(C2(O)CCCCC2)NCCc2ccccc21
InChIInChI=1S/C16H23NO/c1-15(16(18)10-5-2-6-11-16)14-8-4-3-7-13(14)9-12-17-15/h3-4,7-8,17-18H,2,5-6,9-12H2,1H3
InChIKeyVMXYNNOLPQQSFF-UHFFFAOYSA-N
XLogP2.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)cyclohexan-1-ol?
The IUPAC name of 1-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)cyclohexan-1-ol (CID 3983838) is 1-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)cyclohexan-1-ol is CC1(C2(O)CCCCC2)NCCc2ccccc21.
What is the InChIKey of 1-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)cyclohexan-1-ol?
The InChIKey is VMXYNNOLPQQSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-15(16(18)10-5-2-6-11-16)14-8-4-3-7-13(14)9-12-17-15/h3-4,7-8,17-18H,2,5-6,9-12H2,1H3.
What are the key properties of 1-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)cyclohexan-1-ol?
1-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)cyclohexan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 3983838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).