4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline

C16H25NO — CID 64688394

IUPAC4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCOc1ccc2c(c1)C(CCC)NCC2C
InChIInChI=1S/C16H25NO/c1-4-6-16-15-10-13(18-9-5-2)7-8-14(15)12(3)11-17-16/h7-8,10,12,16-17H,4-6,9,11H2,1-3H3
InChIKeyAYGCRKLJVQQVKH-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.02
Rot. Bonds5

About 4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline

4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64688394) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64688394
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCOc1ccc2c(c1)C(CCC)NCC2C
InChIInChI=1S/C16H25NO/c1-4-6-16-15-10-13(18-9-5-2)7-8-14(15)12(3)11-17-16/h7-8,10,12,16-17H,4-6,9,11H2,1-3H3
InChIKeyAYGCRKLJVQQVKH-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64689174
3-methyl-6-propoxy-2,3-dihydro-1H-inden-1-ol
CID 63820639
1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline
CID 62496450
3-methyl-6-propoxy-2,3-dihydroinden-1-one
CID 63820814
(1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline
CID 138040626
1-tert-butyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline
CID 62495291
(2S)-2-(3-butoxyphenyl)aziridine
CID 55262562
2-(4-methylcyclohexyl)-4-propoxy-1-[(4-propylcyclohexyl)methoxy]benzene
CID 54025931
4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 64687395
2-[2-(3-propoxyphenyl)ethyl]piperidine
CID 62497478
1-methoxy-7-propoxy-2,4-dihydro-1H-isoquinolin-3-one
CID 123455144
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline (CID 64688394) is 4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline is CCCOc1ccc2c(c1)C(CCC)NCC2C.
What is the InChIKey of 4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is AYGCRKLJVQQVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-6-16-15-10-13(18-9-5-2)7-8-14(15)12(3)11-17-16/h7-8,10,12,16-17H,4-6,9,11H2,1-3H3.
What are the key properties of 4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline?
4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 247.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64688394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).