4-(4-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline

C17H18FN — CID 10198980

IUPAC4-(4-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1)CN(C)CC2c1ccc(F)cc1
InChIInChI=1S/C17H18FN/c1-12-3-8-16-14(9-12)10-19(2)11-17(16)13-4-6-15(18)7-5-13/h3-9,17H,10-11H2,1-2H3
InChIKeyAPTVKHQLUJFYAC-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.71
Rot. Bonds1

About 4-(4-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline

4-(4-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 10198980) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
PubChem CID10198980
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name4-(4-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1)CN(C)CC2c1ccc(F)cc1
InChIInChI=1S/C17H18FN/c1-12-3-8-16-14(9-12)10-19(2)11-17(16)13-4-6-15(18)7-5-13/h3-9,17H,10-11H2,1-2H3
InChIKeyAPTVKHQLUJFYAC-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(4-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline (CID 10198980) is 4-(4-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(4-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(4-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline is Cc1ccc2c(c1)CN(C)CC2c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is APTVKHQLUJFYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-12-3-8-16-14(9-12)10-19(2)11-17(16)13-4-6-15(18)7-5-13/h3-9,17H,10-11H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline?
4-(4-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 255.34 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 10198980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).