4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

C19H23NO — CID 104504939

IUPAC4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)Oc1ccccc1CC1CNCc2ccccc21
InChIInChI=1S/C19H23NO/c1-14(2)21-19-10-6-4-7-15(19)11-17-13-20-12-16-8-3-5-9-18(16)17/h3-10,14,17,20H,11-13H2,1-2H3
InChIKeyQCVCYXQLZPXMAV-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.90
Rot. Bonds4

About 4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 104504939) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID104504939
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)Oc1ccccc1CC1CNCc2ccccc21
InChIInChI=1S/C19H23NO/c1-14(2)21-19-10-6-4-7-15(19)11-17-13-20-12-16-8-3-5-9-18(16)17/h3-10,14,17,20H,11-13H2,1-2H3
InChIKeyQCVCYXQLZPXMAV-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104504996
4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505031
4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 104505044
4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 104504964
4-(propan-2-ylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104292
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262511
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
4-[(3,4-difluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505023
4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106780076
4-(methylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104290
4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104294
4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 105374785

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 104504939) is 4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is CC(C)Oc1ccccc1CC1CNCc2ccccc21.
What is the InChIKey of 4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QCVCYXQLZPXMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(2)21-19-10-6-4-7-15(19)11-17-13-20-12-16-8-3-5-9-18(16)17/h3-10,14,17,20H,11-13H2,1-2H3.
What are the key properties of 4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 281.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 104504939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).