2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline

C17H25NO — CID 67454861

IUPAC2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(CC1CCCCC1)CC2
InChIInChI=1S/C17H25NO/c1-19-17-8-7-15-9-10-18(13-16(15)11-17)12-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12-13H2,1H3
InChIKeyJPWZIIKOSIRALW-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.63
Rot. Bonds3

About 2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline

2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 67454861) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
PubChem CID67454861
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CN(CC1CCCCC1)CC2
InChIInChI=1S/C17H25NO/c1-19-17-8-7-15-9-10-18(13-16(15)11-17)12-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12-13H2,1H3
InChIKeyJPWZIIKOSIRALW-UHFFFAOYSA-N
XLogP3.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline (CID 67454861) is 2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CN(CC1CCCCC1)CC2.
What is the InChIKey of 2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is JPWZIIKOSIRALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-19-17-8-7-15-9-10-18(13-16(15)11-17)12-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12-13H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline?
2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 259.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 67454861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).