10b-ethyl-3-hexyl-9-methoxy-4-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline

C23H37NO — CID 70510651

IUPAC10b-ethyl-3-hexyl-9-methoxy-4-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline
SMILESCCCCCCN1CCC2(CC)c3cc(OC)ccc3CCC2C1C
InChIInChI=1S/C23H37NO/c1-5-7-8-9-15-24-16-14-23(6-2)21(18(24)3)13-11-19-10-12-20(25-4)17-22(19)23/h10,12,17-18,21H,5-9,11,13-16H2,1-4H3
InChIKeyMENPKFDWQKGJSQ-UHFFFAOYSA-N
MW343.56 g/mol
LogP5.58
Rot. Bonds7

About 10b-ethyl-3-hexyl-9-methoxy-4-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline

10b-ethyl-3-hexyl-9-methoxy-4-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline (PubChem CID 70510651) has the molecular formula C23H37NO and a molecular weight of 343.56 g/mol. Its IUPAC name is 10b-ethyl-3-hexyl-9-methoxy-4-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline.

Molecular Properties

Compound Name10b-ethyl-3-hexyl-9-methoxy-4-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline
PubChem CID70510651
Molecular FormulaC23H37NO
Molecular Weight343.56 g/mol
Exact Mass343.29
IUPAC Name10b-ethyl-3-hexyl-9-methoxy-4-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline
SMILESCCCCCCN1CCC2(CC)c3cc(OC)ccc3CCC2C1C
InChIInChI=1S/C23H37NO/c1-5-7-8-9-15-24-16-14-23(6-2)21(18(24)3)13-11-19-10-12-20(25-4)17-22(19)23/h10,12,17-18,21H,5-9,11,13-16H2,1-4H3
InChIKeyMENPKFDWQKGJSQ-UHFFFAOYSA-N
XLogP5.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10b-ethyl-3-hexyl-9-methoxy-4-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline with MolForge

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Launch Full Analysis

Related Compounds

(1S,9R,13R)-1-ethyl-4-methoxy-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 71167641
3-benzyl-10b-ethyl-9-methoxy-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline
CID 70510282
1-hexyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79375059
(1S,13R)-1,13-diethyl-4-methoxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 90679103
4-methoxy-12-octyl-12-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene
CID 70512139
(3aS,9bR)-8-methoxy-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
CID 100948186
(3aS,8bR)-8b-ethyl-7-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 122231230
6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 68537922
(1S,10aS)-6-methoxy-1,4a-dimethyl-1,3,4,9,10,10a-hexahydrophenanthren-2-one
CID 58886884
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
(1R,9R,13R)-10-(cyclopropylmethyl)-1-(4,4-dimethoxybutyl)-4-methoxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 90050524
7-methoxy-1-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 19784338

Frequently Asked Questions

What is the IUPAC name of 10b-ethyl-3-hexyl-9-methoxy-4-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline?
The IUPAC name of 10b-ethyl-3-hexyl-9-methoxy-4-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline (CID 70510651) is 10b-ethyl-3-hexyl-9-methoxy-4-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline.
What is the SMILES notation for 10b-ethyl-3-hexyl-9-methoxy-4-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline?
The canonical SMILES for 10b-ethyl-3-hexyl-9-methoxy-4-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline is CCCCCCN1CCC2(CC)c3cc(OC)ccc3CCC2C1C.
What is the InChIKey of 10b-ethyl-3-hexyl-9-methoxy-4-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline?
The InChIKey is MENPKFDWQKGJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO/c1-5-7-8-9-15-24-16-14-23(6-2)21(18(24)3)13-11-19-10-12-20(25-4)17-22(19)23/h10,12,17-18,21H,5-9,11,13-16H2,1-4H3.
What are the key properties of 10b-ethyl-3-hexyl-9-methoxy-4-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline?
10b-ethyl-3-hexyl-9-methoxy-4-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline has a molecular weight of 343.56 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-ethyl-3-hexyl-9-methoxy-4-methyl-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline is sourced from PubChem (CID 70510651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).