4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride

C17H18ClFN2 — CID 70437653

IUPAC4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride
SMILESCN(C)C1=NCc2ccccc2C1c1ccccc1F.Cl
InChIInChI=1S/C17H17FN2.ClH/c1-20(2)17-16(14-9-5-6-10-15(14)18)13-8-4-3-7-12(13)11-19-17;/h3-10,16H,11H2,1-2H3;1H
InChIKeyJQYUVZOCYCXTPH-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.85
Rot. Bonds1

About 4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride

4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride (PubChem CID 70437653) has the molecular formula C17H18ClFN2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride
PubChem CID70437653
Molecular FormulaC17H18ClFN2
Molecular Weight304.80 g/mol
Exact Mass304.11
IUPAC Name4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride
SMILESCN(C)C1=NCc2ccccc2C1c1ccccc1F.Cl
InChIInChI=1S/C17H17FN2.ClH/c1-20(2)17-16(14-9-5-6-10-15(14)18)13-8-4-3-7-12(13)11-19-17;/h3-10,16H,11H2,1-2H3;1H
InChIKeyJQYUVZOCYCXTPH-UHFFFAOYSA-N
XLogP3.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride?
The IUPAC name of 4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride (CID 70437653) is 4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride.
What is the SMILES notation for 4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride?
The canonical SMILES for 4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride is CN(C)C1=NCc2ccccc2C1c1ccccc1F.Cl.
What is the InChIKey of 4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride?
The InChIKey is JQYUVZOCYCXTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2.ClH/c1-20(2)17-16(14-9-5-6-10-15(14)18)13-8-4-3-7-12(13)11-19-17;/h3-10,16H,11H2,1-2H3;1H.
What are the key properties of 4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride?
4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride has a molecular weight of 304.80 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N,N-dimethyl-1,4-dihydroisoquinolin-3-amine;hydrochloride is sourced from PubChem (CID 70437653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).