6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline

C16H16FNO — CID 115104179

IUPAC6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESFc1ccccc1OCc1ccc2c(c1)CCNC2
InChIInChI=1S/C16H16FNO/c17-15-3-1-2-4-16(15)19-11-12-5-6-14-10-18-8-7-13(14)9-12/h1-6,9,18H,7-8,10-11H2
InChIKeyBBDPBTZHEOFTOE-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.05
Rot. Bonds3

About 6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline

6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115104179) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115104179
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESFc1ccccc1OCc1ccc2c(c1)CCNC2
InChIInChI=1S/C16H16FNO/c17-15-3-1-2-4-16(15)19-11-12-5-6-14-10-18-8-7-13(14)9-12/h1-6,9,18H,7-8,10-11H2
InChIKeyBBDPBTZHEOFTOE-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[(2-fluorophenoxy)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

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 115104179) is 6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline is Fc1ccccc1OCc1ccc2c(c1)CCNC2.
What is the InChIKey of 6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BBDPBTZHEOFTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-15-3-1-2-4-16(15)19-11-12-5-6-14-10-18-8-7-13(14)9-12/h1-6,9,18H,7-8,10-11H2.
What are the key properties of 6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 257.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115104179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).