(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone

C17H16FNO2 — CID 116549741

IUPAC(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
SMILESCOc1ccc(C(=O)C2Cc3ccccc3CN2)cc1F
InChIInChI=1S/C17H16FNO2/c1-21-16-7-6-12(8-14(16)18)17(20)15-9-11-4-2-3-5-13(11)10-19-15/h2-8,15,19H,9-10H2,1H3
InChIKeyZDYUSJKDKSRGPM-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.73
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone

(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone (PubChem CID 116549741) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
PubChem CID116549741
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
SMILESCOc1ccc(C(=O)C2Cc3ccccc3CN2)cc1F
InChIInChI=1S/C17H16FNO2/c1-21-16-7-6-12(8-14(16)18)17(20)15-9-11-4-2-3-5-13(11)10-19-15/h2-8,15,19H,9-10H2,1H3
InChIKeyZDYUSJKDKSRGPM-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116562003
(3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone
CID 116576254
(3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476859
(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568282
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 52994114
3-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide
CID 110903576
(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 46819959
2,3-dihydro-1H-inden-2-yl-(4-methoxy-3-methylphenyl)methanone
CID 106892565
(3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone
CID 116572516
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301
pyridin-3-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549767
(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892546

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone (CID 116549741) is (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone is COc1ccc(C(=O)C2Cc3ccccc3CN2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The InChIKey is ZDYUSJKDKSRGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-21-16-7-6-12(8-14(16)18)17(20)15-9-11-4-2-3-5-13(11)10-19-15/h2-8,15,19H,9-10H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone has a molecular weight of 285.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone is sourced from PubChem (CID 116549741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).