6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline

C15H23NO — CID 68537922

IUPAC6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
SMILESCCCCCN1CCc2cc(OC)ccc2C1
InChIInChI=1S/C15H23NO/c1-3-4-5-9-16-10-8-13-11-15(17-2)7-6-14(13)12-16/h6-7,11H,3-5,8-10,12H2,1-2H3
InChIKeyOZTFIQOKGBDHPA-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.24
Rot. Bonds5

About 6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline

6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline (PubChem CID 68537922) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
PubChem CID68537922
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
SMILESCCCCCN1CCc2cc(OC)ccc2C1
InChIInChI=1S/C15H23NO/c1-3-4-5-9-16-10-8-13-11-15(17-2)7-6-14(13)12-16/h6-7,11H,3-5,8-10,12H2,1-2H3
InChIKeyOZTFIQOKGBDHPA-UHFFFAOYSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloropropyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 18176535
6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 22673
3-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-thiol
CID 89053369
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456823
2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-6-amine
CID 82581602
7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 23331334
8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 174381587
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806
2-(2-decoxyethyl)-3,4-dihydro-1H-isoquinoline
CID 133083999

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline (CID 68537922) is 6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline is CCCCCN1CCc2cc(OC)ccc2C1.
What is the InChIKey of 6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is OZTFIQOKGBDHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-4-5-9-16-10-8-13-11-15(17-2)7-6-14(13)12-16/h6-7,11H,3-5,8-10,12H2,1-2H3.
What are the key properties of 6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline?
6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 233.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68537922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).