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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Related Compounds

2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 171523042
7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 120847784
2-(cyclohexylmethyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3,4-dihydro-1H-isoquinoline;oxalic acid
CID 68687781
2-(cyclopentylmethyl)-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
CID 171523168
6-methoxy-2-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 59799713
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86842865
3-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-thiol
CID 89053369
4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456823
2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide
CID 99782007
2-[[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 59799721
2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 91841165
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 86574848

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).