1-(3-fluorophenyl)-7-methyl-3,4-dihydroisoquinoline

C16H14FN — CID 139247518

IUPAC1-(3-fluorophenyl)-7-methyl-3,4-dihydroisoquinoline
SMILESCc1ccc2c(c1)C(c1cccc(F)c1)=NCC2
InChIInChI=1S/C16H14FN/c1-11-5-6-12-7-8-18-16(15(12)9-11)13-3-2-4-14(17)10-13/h2-6,9-10H,7-8H2,1H3
InChIKeyXSDLEXQDARQSTR-UHFFFAOYSA-N
MW239.29 g/mol
LogP3.53
Rot. Bonds1

About 1-(3-fluorophenyl)-7-methyl-3,4-dihydroisoquinoline

1-(3-fluorophenyl)-7-methyl-3,4-dihydroisoquinoline (PubChem CID 139247518) has the molecular formula C16H14FN and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-7-methyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-(3-fluorophenyl)-7-methyl-3,4-dihydroisoquinoline
PubChem CID139247518
Molecular FormulaC16H14FN
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC Name1-(3-fluorophenyl)-7-methyl-3,4-dihydroisoquinoline
SMILESCc1ccc2c(c1)C(c1cccc(F)c1)=NCC2
InChIInChI=1S/C16H14FN/c1-11-5-6-12-7-8-18-16(15(12)9-11)13-3-2-4-14(17)10-13/h2-6,9-10H,7-8H2,1H3
InChIKeyXSDLEXQDARQSTR-UHFFFAOYSA-N
XLogP3.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-Dihydro-1-(phenylmethyl)isoquinoline
CID 32719
1-Phenyl-3,4-dihydroisoquinoline
CID 609926
1-Methyl-3,4-dihydroisoquinoline
CID 231502
1-Benzyl-3,4-dihydroisoquinoline hydrochloride
CID 45048805
3-Methyl-1-phenethyl-3,4-dihydroisoquinoline hydrochloride
CID 24747746
1-Phenyl-3,4-dihydroisoquinoline hydrochloride
CID 12220823
N-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-1-(3-fluorophenyl)methanimine
CID 118717332
Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,7,8,12b-tetrahydro-
CID 202158
N-[(2,6-dimethylphenyl)(phenyl)methylene]-N-methylamine
CID 1203670
1,4-Dimethyl-3,4-dihydroisoquinoline
CID 321435
Isoquinoline, 3,4-dihydro-1-methyl-6-phenyl-, hydrochloride
CID 32403
1-Methyl-8-phenyl-3,4-dihydroisoquinoline
CID 32411

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-7-methyl-3,4-dihydroisoquinoline?
The IUPAC name of 1-(3-fluorophenyl)-7-methyl-3,4-dihydroisoquinoline (CID 139247518) is 1-(3-fluorophenyl)-7-methyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-(3-fluorophenyl)-7-methyl-3,4-dihydroisoquinoline?
The canonical SMILES for 1-(3-fluorophenyl)-7-methyl-3,4-dihydroisoquinoline is Cc1ccc2c(c1)C(c1cccc(F)c1)=NCC2.
What is the InChIKey of 1-(3-fluorophenyl)-7-methyl-3,4-dihydroisoquinoline?
The InChIKey is XSDLEXQDARQSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN/c1-11-5-6-12-7-8-18-16(15(12)9-11)13-3-2-4-14(17)10-13/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-7-methyl-3,4-dihydroisoquinoline?
1-(3-fluorophenyl)-7-methyl-3,4-dihydroisoquinoline has a molecular weight of 239.29 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-7-methyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 139247518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).