4-(4-fluoro-3-methylphenyl)-2,8-dimethyl-3,4-dihydro-1H-isoquinoline

C18H20FN — CID 10199285

IUPAC4-(4-fluoro-3-methylphenyl)-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1cc(C2CN(C)Cc3c(C)cccc32)ccc1F
InChIInChI=1S/C18H20FN/c1-12-5-4-6-15-16(12)10-20(3)11-17(15)14-7-8-18(19)13(2)9-14/h4-9,17H,10-11H2,1-3H3
InChIKeyFYRPDWCCIGZKHQ-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.02
Rot. Bonds1

About 4-(4-fluoro-3-methylphenyl)-2,8-dimethyl-3,4-dihydro-1H-isoquinoline

4-(4-fluoro-3-methylphenyl)-2,8-dimethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 10199285) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-2,8-dimethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
PubChem CID10199285
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name4-(4-fluoro-3-methylphenyl)-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1cc(C2CN(C)Cc3c(C)cccc32)ccc1F
InChIInChI=1S/C18H20FN/c1-12-5-4-6-15-16(12)10-20(3)11-17(15)14-7-8-18(19)13(2)9-14/h4-9,17H,10-11H2,1-3H3
InChIKeyFYRPDWCCIGZKHQ-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-2,8-dimethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-2,8-dimethyl-3,4-dihydro-1H-isoquinoline (CID 10199285) is 4-(4-fluoro-3-methylphenyl)-2,8-dimethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-2,8-dimethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-2,8-dimethyl-3,4-dihydro-1H-isoquinoline is Cc1cc(C2CN(C)Cc3c(C)cccc32)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-2,8-dimethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is FYRPDWCCIGZKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-12-5-4-6-15-16(12)10-20(3)11-17(15)14-7-8-18(19)13(2)9-14/h4-9,17H,10-11H2,1-3H3.
What are the key properties of 4-(4-fluoro-3-methylphenyl)-2,8-dimethyl-3,4-dihydro-1H-isoquinoline?
4-(4-fluoro-3-methylphenyl)-2,8-dimethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 269.36 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-2,8-dimethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 10199285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).