4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline

C16H17NO — CID 115104294

IUPAC4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(OCC2CNCc3ccccc32)cc1
InChIInChI=1S/C16H17NO/c1-2-7-15(8-3-1)18-12-14-11-17-10-13-6-4-5-9-16(13)14/h1-9,14,17H,10-12H2
InChIKeyWBOLLKFELZZYBR-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.95
Rot. Bonds3

About 4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline

4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115104294) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID115104294
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(OCC2CNCc3ccccc32)cc1
InChIInChI=1S/C16H17NO/c1-2-7-15(8-3-1)18-12-14-11-17-10-13-6-4-5-9-16(13)14/h1-9,14,17H,10-12H2
InChIKeyWBOLLKFELZZYBR-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-bromophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104305
4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262476
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol
CID 115105105
4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 114522674
4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 106779335
4-(methylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104290
N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
CID 65262510
methyl 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)acetate
CID 91844783
4-chloro-1,2,3,4-tetrahydroisoquinoline
CID 91517111
4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 104505044
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine
CID 65262461

Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline (CID 115104294) is 4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline is c1ccc(OCC2CNCc3ccccc32)cc1.
What is the InChIKey of 4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WBOLLKFELZZYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-7-15(8-3-1)18-12-14-11-17-10-13-6-4-5-9-16(13)14/h1-9,14,17H,10-12H2.
What are the key properties of 4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline?
4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 239.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115104294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).