1-[(3-fluorophenoxy)methyl]-3,4-dihydroisoquinoline

C16H14FNO — CID 15956598

IUPAC1-[(3-fluorophenoxy)methyl]-3,4-dihydroisoquinoline
SMILESFc1cccc(OCC2=NCCc3ccccc32)c1
InChIInChI=1S/C16H14FNO/c17-13-5-3-6-14(10-13)19-11-16-15-7-2-1-4-12(15)8-9-18-16/h1-7,10H,8-9,11H2
InChIKeyUJTQECRRPNSAAH-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.25
Rot. Bonds3

About 1-[(3-fluorophenoxy)methyl]-3,4-dihydroisoquinoline

1-[(3-fluorophenoxy)methyl]-3,4-dihydroisoquinoline (PubChem CID 15956598) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-[(3-fluorophenoxy)methyl]-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-[(3-fluorophenoxy)methyl]-3,4-dihydroisoquinoline
PubChem CID15956598
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name1-[(3-fluorophenoxy)methyl]-3,4-dihydroisoquinoline
SMILESFc1cccc(OCC2=NCCc3ccccc32)c1
InChIInChI=1S/C16H14FNO/c17-13-5-3-6-14(10-13)19-11-16-15-7-2-1-4-12(15)8-9-18-16/h1-7,10H,8-9,11H2
InChIKeyUJTQECRRPNSAAH-UHFFFAOYSA-N
XLogP3.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Famotine Hydrochloride
CID 208950
Memotine
CID 25350
Famotine
CID 29069
Memotine Hydrochloride
CID 9948392
1-[(1E,3E)-penta-1,3-dienyl]-6-propoxy-3,4-dihydroisoquinoline;hydrobromide
CID 44531233
2-(4-fluorophenyl)-4-(2-methoxyphenyl)-5-methyl-2H-imidazole
CID 4364198
5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole
CID 11473729
3,3-Dimethyl-1-phenoxymethyl-3,4-dihydro-isoquinoline
CID 24746907
3,4-Dihydroisoquinoline, 1-[3-methoxybenzyl]-6-methoxy-
CID 624494
1-Phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11045230
1-Butyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11782278
1-Butyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11833257

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenoxy)methyl]-3,4-dihydroisoquinoline?
The IUPAC name of 1-[(3-fluorophenoxy)methyl]-3,4-dihydroisoquinoline (CID 15956598) is 1-[(3-fluorophenoxy)methyl]-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-[(3-fluorophenoxy)methyl]-3,4-dihydroisoquinoline?
The canonical SMILES for 1-[(3-fluorophenoxy)methyl]-3,4-dihydroisoquinoline is Fc1cccc(OCC2=NCCc3ccccc32)c1.
What is the InChIKey of 1-[(3-fluorophenoxy)methyl]-3,4-dihydroisoquinoline?
The InChIKey is UJTQECRRPNSAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-13-5-3-6-14(10-13)19-11-16-15-7-2-1-4-12(15)8-9-18-16/h1-7,10H,8-9,11H2.
What are the key properties of 1-[(3-fluorophenoxy)methyl]-3,4-dihydroisoquinoline?
1-[(3-fluorophenoxy)methyl]-3,4-dihydroisoquinoline has a molecular weight of 255.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenoxy)methyl]-3,4-dihydroisoquinoline is sourced from PubChem (CID 15956598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).