2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline

C15H14FN — CID 57412705

IUPAC2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline
SMILESFc1ccc(N2CCc3ccccc3C2)cc1
InChIInChI=1S/C15H14FN/c16-14-5-7-15(8-6-14)17-10-9-12-3-1-2-4-13(12)11-17/h1-8H,9-11H2
InChIKeyDHNZSZPXVUCTQG-UHFFFAOYSA-N
MW227.28 g/mol
LogP3.39
Rot. Bonds1

About 2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline

2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 57412705) has the molecular formula C15H14FN and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline
PubChem CID57412705
Molecular FormulaC15H14FN
Molecular Weight227.28 g/mol
Exact Mass227.11
IUPAC Name2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline
SMILESFc1ccc(N2CCc3ccccc3C2)cc1
InChIInChI=1S/C15H14FN/c16-14-5-7-15(8-6-14)17-10-9-12-3-1-2-4-13(12)11-17/h1-8H,9-11H2
InChIKeyDHNZSZPXVUCTQG-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-Methyl-N-phenylbenzylamine
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1-Phenyl-4-(3-phenylpropyl)piperazine
CID 743379
1-Phenyl-4-(4-phenyl-butyl)-piperazine
CID 15723883
2-(4-Nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline
CID 3124727
1-Phenethyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2845594
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CID 117428
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CID 226063

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline (CID 57412705) is 2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline is Fc1ccc(N2CCc3ccccc3C2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is DHNZSZPXVUCTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN/c16-14-5-7-15(8-6-14)17-10-9-12-3-1-2-4-13(12)11-17/h1-8H,9-11H2.
What are the key properties of 2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline?
2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 227.28 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 57412705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).