6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline

C16H25NO — CID 106781104

IUPAC6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CCNC2CCCC(C)C
InChIInChI=1S/C16H25NO/c1-12(2)5-4-6-16-15-8-7-14(18-3)11-13(15)9-10-17-16/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3
InChIKeyOONRHTBHMJDRNL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.71
Rot. Bonds5

About 6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline

6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106781104) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID106781104
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CCNC2CCCC(C)C
InChIInChI=1S/C16H25NO/c1-12(2)5-4-6-16-15-8-7-14(18-3)11-13(15)9-10-17-16/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3
InChIKeyOONRHTBHMJDRNL-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline
CID 106778477
6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 143954648
1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106777888
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
CID 68821160
CID 68821160
6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-ol;hydrochloride
CID 90423697
7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 106780647
6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
CID 102340504
1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106779921
6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115324453
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106780194

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline (CID 106781104) is 6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)CCNC2CCCC(C)C.
What is the InChIKey of 6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OONRHTBHMJDRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)5-4-6-16-15-8-7-14(18-3)11-13(15)9-10-17-16/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3.
What are the key properties of 6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline?
6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 247.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106781104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).