6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline

C18H29NO — CID 106778477

IUPAC6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCCCCCCC1NCCc2cc(OC)ccc21
InChIInChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-18-17-11-10-16(20-2)14-15(17)12-13-19-18/h10-11,14,18-19H,3-9,12-13H2,1-2H3
InChIKeyMJGQIBVKWIRTLV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.63
Rot. Bonds8

About 6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline

6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106778477) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID106778477
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCCCCCCC1NCCc2cc(OC)ccc21
InChIInChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-18-17-11-10-16(20-2)14-15(17)12-13-19-18/h10-11,14,18-19H,3-9,12-13H2,1-2H3
InChIKeyMJGQIBVKWIRTLV-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781104
6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 143954648
(1S)-1-decyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 98157851
1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106777888
1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106778410
4-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 96977662
7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 106778860
6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-ol;hydrochloride
CID 90423697
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106780194
6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
CID 102340504
1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
CID 20976200
1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106779921

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline (CID 106778477) is 6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline is CCCCCCCCC1NCCc2cc(OC)ccc21.
What is the InChIKey of 6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MJGQIBVKWIRTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-4-5-6-7-8-9-18-17-11-10-16(20-2)14-15(17)12-13-19-18/h10-11,14,18-19H,3-9,12-13H2,1-2H3.
What are the key properties of 6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline?
6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 275.44 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106778477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).