1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline

C16H21NO — CID 18172454

IUPAC1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline
SMILESCOc1ccc2c(c1)CCN=C2C1CCCCC1
InChIInChI=1S/C16H21NO/c1-18-14-7-8-15-13(11-14)9-10-17-16(15)12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyUITYXAHZJUAROO-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.62
Rot. Bonds2

About 1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline

1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline (PubChem CID 18172454) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline
PubChem CID18172454
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline
SMILESCOc1ccc2c(c1)CCN=C2C1CCCCC1
InChIInChI=1S/C16H21NO/c1-18-14-7-8-15-13(11-14)9-10-17-16(15)12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyUITYXAHZJUAROO-UHFFFAOYSA-N
XLogP3.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline?
The IUPAC name of 1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline (CID 18172454) is 1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline is COc1ccc2c(c1)CCN=C2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline?
The InChIKey is UITYXAHZJUAROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-18-14-7-8-15-13(11-14)9-10-17-16(15)12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3.
What are the key properties of 1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline?
1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline has a molecular weight of 243.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 18172454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).