2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone

C18H18FNO — CID 114350345

IUPAC2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
SMILESCc1cc(F)ccc1CC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C18H18FNO/c1-12-8-16(19)7-6-13(12)10-18(21)17-9-14-4-2-3-5-15(14)11-20-17/h2-8,17,20H,9-11H2,1H3
InChIKeyLDCJRPQMOZPDQF-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.96
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone

2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone (PubChem CID 114350345) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
PubChem CID114350345
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
SMILESCc1cc(F)ccc1CC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C18H18FNO/c1-12-8-16(19)7-6-13(12)10-18(21)17-9-14-4-2-3-5-15(14)11-20-17/h2-8,17,20H,9-11H2,1H3
InChIKeyLDCJRPQMOZPDQF-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549786
2-(2-bromophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549733
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347164
2-(3,4-dichlorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549674
2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549873
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)but-3-yn-1-one
CID 116549661
N-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24705541
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)but-3-en-1-one
CID 116549670
(2-fluorophenyl)methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 63933032
(3S)-N-(4-fluoro-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896468
(3R)-N-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28970796
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119270632

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone (CID 114350345) is 2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone is Cc1cc(F)ccc1CC(=O)C1Cc2ccccc2CN1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone?
The InChIKey is LDCJRPQMOZPDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-12-8-16(19)7-6-13(12)10-18(21)17-9-14-4-2-3-5-15(14)11-20-17/h2-8,17,20H,9-11H2,1H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone?
2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone has a molecular weight of 283.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone is sourced from PubChem (CID 114350345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).