1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline

C19H23NO2 — CID 83970440

IUPAC1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)Oc1ccc2c(c1)C(COc1ccccc1)NCC2
InChIInChI=1S/C19H23NO2/c1-14(2)22-17-9-8-15-10-11-20-19(18(15)12-17)13-21-16-6-4-3-5-7-16/h3-9,12,14,19-20H,10-11,13H2,1-2H3
InChIKeyANXOZSJDRHJVBG-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.74
Rot. Bonds5

About 1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline

1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83970440) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID83970440
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)Oc1ccc2c(c1)C(COc1ccccc1)NCC2
InChIInChI=1S/C19H23NO2/c1-14(2)22-17-9-8-15-10-11-20-19(18(15)12-17)13-21-16-6-4-3-5-7-16/h3-9,12,14,19-20H,10-11,13H2,1-2H3
InChIKeyANXOZSJDRHJVBG-UHFFFAOYSA-N
XLogP3.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 83970438
1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 62373597
7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 106780647
1-[(4-hydroxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrobromide
CID 20511257
1-[(4-chlorophenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 10065439
1-benzyl-7-octoxy-1,2,3,4-tetrahydroisoquinoline
CID 141386666
7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 106778860
(1R)-1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 2049394
(1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline
CID 96989866
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543727
1-[(3,4-dichlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
CID 12773915

Frequently Asked Questions

What is the IUPAC name of 1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline (CID 83970440) is 1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline is CC(C)Oc1ccc2c(c1)C(COc1ccccc1)NCC2.
What is the InChIKey of 1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ANXOZSJDRHJVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14(2)22-17-9-8-15-10-11-20-19(18(15)12-17)13-21-16-6-4-3-5-7-16/h3-9,12,14,19-20H,10-11,13H2,1-2H3.
What are the key properties of 1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 297.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83970440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).