4-(3-fluorophenyl)-2-methyl-3,4,8,9-tetrahydro-1H-furo[2,3-h]isoquinoline

C18H18FNO — CID 11587274

IUPAC4-(3-fluorophenyl)-2-methyl-3,4,8,9-tetrahydro-1H-furo[2,3-h]isoquinoline
SMILESCN1Cc2c(ccc3c2CCO3)C(c2cccc(F)c2)C1
InChIInChI=1S/C18H18FNO/c1-20-10-16(12-3-2-4-13(19)9-12)14-5-6-18-15(7-8-21-18)17(14)11-20/h2-6,9,16H,7-8,10-11H2,1H3
InChIKeyKDGHNQRKAVOYNZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.34
Rot. Bonds1

About 4-(3-fluorophenyl)-2-methyl-3,4,8,9-tetrahydro-1H-furo[2,3-h]isoquinoline

4-(3-fluorophenyl)-2-methyl-3,4,8,9-tetrahydro-1H-furo[2,3-h]isoquinoline (PubChem CID 11587274) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-methyl-3,4,8,9-tetrahydro-1H-furo[2,3-h]isoquinoline.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-methyl-3,4,8,9-tetrahydro-1H-furo[2,3-h]isoquinoline
PubChem CID11587274
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name4-(3-fluorophenyl)-2-methyl-3,4,8,9-tetrahydro-1H-furo[2,3-h]isoquinoline
SMILESCN1Cc2c(ccc3c2CCO3)C(c2cccc(F)c2)C1
InChIInChI=1S/C18H18FNO/c1-20-10-16(12-3-2-4-13(19)9-12)14-5-6-18-15(7-8-21-18)17(14)11-20/h2-6,9,16H,7-8,10-11H2,1H3
InChIKeyKDGHNQRKAVOYNZ-UHFFFAOYSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(3,5-difluorophenyl)-2,7-dimethyl-3,4,8,9-tetrahydro-1H-pyrrolo[2,3-h]isoquinoline
CID 129362234
4-(4-fluoro-3-methylphenyl)-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
CID 10199285
(Z)-but-2-enedioic acid;(4S)-4-(3-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 174459803
(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol
CID 71497499
3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol
CID 20531690
2-(3-fluorophenyl)-4-methylmorpholine
CID 77271439
2-methyl-8-nitro-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 14571110
N,2-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 10037871
3-(8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzenesulfinic acid
CID 123272031
4-(1-benzothiophen-5-yl)-7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68999429
(3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 96623121
4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine
CID 68994440

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-methyl-3,4,8,9-tetrahydro-1H-furo[2,3-h]isoquinoline?
The IUPAC name of 4-(3-fluorophenyl)-2-methyl-3,4,8,9-tetrahydro-1H-furo[2,3-h]isoquinoline (CID 11587274) is 4-(3-fluorophenyl)-2-methyl-3,4,8,9-tetrahydro-1H-furo[2,3-h]isoquinoline.
What is the SMILES notation for 4-(3-fluorophenyl)-2-methyl-3,4,8,9-tetrahydro-1H-furo[2,3-h]isoquinoline?
The canonical SMILES for 4-(3-fluorophenyl)-2-methyl-3,4,8,9-tetrahydro-1H-furo[2,3-h]isoquinoline is CN1Cc2c(ccc3c2CCO3)C(c2cccc(F)c2)C1.
What is the InChIKey of 4-(3-fluorophenyl)-2-methyl-3,4,8,9-tetrahydro-1H-furo[2,3-h]isoquinoline?
The InChIKey is KDGHNQRKAVOYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-20-10-16(12-3-2-4-13(19)9-12)14-5-6-18-15(7-8-21-18)17(14)11-20/h2-6,9,16H,7-8,10-11H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-2-methyl-3,4,8,9-tetrahydro-1H-furo[2,3-h]isoquinoline?
4-(3-fluorophenyl)-2-methyl-3,4,8,9-tetrahydro-1H-furo[2,3-h]isoquinoline has a molecular weight of 283.35 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-methyl-3,4,8,9-tetrahydro-1H-furo[2,3-h]isoquinoline is sourced from PubChem (CID 11587274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).