(2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone

C18H18FNO — CID 106883144

IUPAC(2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc3c(c2)CNCC3)c(F)c1
InChIInChI=1S/C18H18FNO/c1-11-7-12(2)17(16(19)8-11)18(21)14-4-3-13-5-6-20-10-15(13)9-14/h3-4,7-9,20H,5-6,10H2,1-2H3
InChIKeyGEFRDWKMAOIGRH-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.32
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone

(2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone (PubChem CID 106883144) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
PubChem CID106883144
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc3c(c2)CNCC3)c(F)c1
InChIInChI=1S/C18H18FNO/c1-11-7-12(2)17(16(19)8-11)18(21)14-4-3-13-5-6-20-10-15(13)9-14/h3-4,7-9,20H,5-6,10H2,1-2H3
InChIKeyGEFRDWKMAOIGRH-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609315
(4-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609424
2-(3,5-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609213
(2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609316
2,3-dihydro-1H-inden-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877016
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
CID 121334078
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
(3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609310
2-(2,6-dimethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609302
(4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 107998197
[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methanone
CID 119046124

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone (CID 106883144) is (2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone is Cc1cc(C)c(C(=O)c2ccc3c(c2)CNCC3)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
The InChIKey is GEFRDWKMAOIGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-11-7-12(2)17(16(19)8-11)18(21)14-4-3-13-5-6-20-10-15(13)9-14/h3-4,7-9,20H,5-6,10H2,1-2H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
(2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone has a molecular weight of 283.35 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone is sourced from PubChem (CID 106883144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).