2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine

C18H18FNS — CID 105024539

IUPAC2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
SMILESCc1cccc(C)c1CC(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C18H18FNS/c1-11-4-3-5-12(2)15(11)10-16(20)18-8-13-6-7-14(19)9-17(13)21-18/h3-9,16H,10,20H2,1-2H3
InChIKeyOQFJZDIBYNBECH-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.90
Rot. Bonds3

About 2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine

2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine (PubChem CID 105024539) has the molecular formula C18H18FNS and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
PubChem CID105024539
Molecular FormulaC18H18FNS
Molecular Weight299.41 g/mol
Exact Mass299.11
IUPAC Name2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
SMILESCc1cccc(C)c1CC(N)c1cc2ccc(F)cc2s1
InChIInChI=1S/C18H18FNS/c1-11-4-3-5-12(2)15(11)10-16(20)18-8-13-6-7-14(19)9-17(13)21-18/h3-9,16H,10,20H2,1-2H3
InChIKeyOQFJZDIBYNBECH-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997058
1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
CID 115835449
2-(4-bromo-2-fluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 115844575
2-(2-chloro-4-methylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 106867073
2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105120769
2-(3-bromo-5-fluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105015577
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039458
(6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990499
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115142
(2,3-difluoro-4-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 107515550
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine
CID 105017408

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine (CID 105024539) is 2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine is Cc1cccc(C)c1CC(N)c1cc2ccc(F)cc2s1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is OQFJZDIBYNBECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNS/c1-11-4-3-5-12(2)15(11)10-16(20)18-8-13-6-7-14(19)9-17(13)21-18/h3-9,16H,10,20H2,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine?
2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 299.41 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 105024539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).