2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine

C18H18FNS — CID 115823769

IUPAC2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1csc2ccccc12)c1cc(C)ccc1F
InChIInChI=1S/C18H18FNS/c1-12-7-8-16(19)15(9-12)17(20-2)10-13-11-21-18-6-4-3-5-14(13)18/h3-9,11,17,20H,10H2,1-2H3
InChIKeyWECCOTSCLMSRDC-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.85
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine

2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine (PubChem CID 115823769) has the molecular formula C18H18FNS and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
PubChem CID115823769
Molecular FormulaC18H18FNS
Molecular Weight299.41 g/mol
Exact Mass299.11
IUPAC Name2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1csc2ccccc12)c1cc(C)ccc1F
InChIInChI=1S/C18H18FNS/c1-12-7-8-16(19)15(9-12)17(20-2)10-13-11-21-18-6-4-3-5-14(13)18/h3-9,11,17,20H,10H2,1-2H3
InChIKeyWECCOTSCLMSRDC-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylethanamine
CID 115823499
2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 103052743
1-(2-fluoro-5-methylphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62800227
2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755028
2-(1-benzothiophen-3-yl)-1-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 115823976
1-(1-benzothiophen-3-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 115800455
[2-(1-benzothiophen-3-yl)-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105197098
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43483828
2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 102923329
[2-(1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105291760
2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 63737255
3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine
CID 63739036

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine (CID 115823769) is 2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine is CNC(Cc1csc2ccccc12)c1cc(C)ccc1F.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine?
The InChIKey is WECCOTSCLMSRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNS/c1-12-7-8-16(19)15(9-12)17(20-2)10-13-11-21-18-6-4-3-5-14(13)18/h3-9,11,17,20H,10H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine?
2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine has a molecular weight of 299.41 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 115823769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).