5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

C17H18FNO — CID 106781161

IUPAC5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc(Cc2cccc3c2CCNC3)c1F
InChIInChI=1S/C17H18FNO/c1-20-16-7-3-5-13(17(16)18)10-12-4-2-6-14-11-19-9-8-15(12)14/h2-7,19H,8-11H2,1H3
InChIKeyBLDZSQGQCQUQLL-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.07
Rot. Bonds3

About 5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106781161) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID106781161
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc(Cc2cccc3c2CCNC3)c1F
InChIInChI=1S/C17H18FNO/c1-20-16-7-3-5-13(17(16)18)10-12-4-2-6-14-11-19-9-8-15(12)14/h2-7,19H,8-11H2,1H3
InChIKeyBLDZSQGQCQUQLL-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(2-fluoro-3-methoxyphenyl)methyl]-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

5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778058
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778084
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
7-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106781151
8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106781538
8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 84657900
8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106777742
1-cyclopropyl-9-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 115030830
5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine
CID 150756751
5-nonyl-1,2,3,4-tetrahydroisoquinoline
CID 106778358
5-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104234

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 106781161) is 5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is COc1cccc(Cc2cccc3c2CCNC3)c1F.
What is the InChIKey of 5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BLDZSQGQCQUQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-20-16-7-3-5-13(17(16)18)10-12-4-2-6-14-11-19-9-8-15(12)14/h2-7,19H,8-11H2,1H3.
What are the key properties of 5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 271.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106781161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).