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

C17H16FNO2 — CID 116549807

IUPAC(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
SMILESCOc1cccc(C(=O)C2Cc3ccccc3CN2)c1F
InChIInChI=1S/C17H16FNO2/c1-21-15-8-4-7-13(16(15)18)17(20)14-9-11-5-2-3-6-12(11)10-19-14/h2-8,14,19H,9-10H2,1H3
InChIKeyHESCCZSRNDCOOL-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.73
Rot. Bonds3

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

(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone (PubChem CID 116549807) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
PubChem CID116549807
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
SMILESCOc1cccc(C(=O)C2Cc3ccccc3CN2)c1F
InChIInChI=1S/C17H16FNO2/c1-21-15-8-4-7-13(16(15)18)17(20)14-9-11-5-2-3-6-12(11)10-19-14/h2-8,14,19H,9-10H2,1H3
InChIKeyHESCCZSRNDCOOL-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-3-yl)methanone
CID 116549741
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
3,4-dihydro-2H-chromen-3-yl-(2-fluoro-3-methoxyphenyl)methanone
CID 82791721
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
(3R)-N-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 124610090
1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one
CID 103453675
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4966575
chloro 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 174797587
(2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 115792913
(4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 116587559

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone (CID 116549807) is (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone is COc1cccc(C(=O)C2Cc3ccccc3CN2)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
The InChIKey is HESCCZSRNDCOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-21-15-8-4-7-13(16(15)18)17(20)14-9-11-5-2-3-6-12(11)10-19-14/h2-8,14,19H,9-10H2,1H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone?
(2-fluoro-3-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 (2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone is sourced from PubChem (CID 116549807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).