1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine

C19H21NS — CID 115800832

IUPAC1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)c1cc2ccccc2s1
InChIInChI=1S/C19H21NS/c1-13-8-14(2)10-15(9-13)11-17(20-3)19-12-16-6-4-5-7-18(16)21-19/h4-10,12,17,20H,11H2,1-3H3
InChIKeyXNYDCGXDINKHEM-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.02
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine

1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine (PubChem CID 115800832) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
PubChem CID115800832
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)c1cc2ccccc2s1
InChIInChI=1S/C19H21NS/c1-13-8-14(2)10-15(9-13)11-17(20-3)19-12-16-6-4-5-7-18(16)21-19/h4-10,12,17,20H,11H2,1-3H3
InChIKeyXNYDCGXDINKHEM-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine
CID 63527021
1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine
CID 105009029
1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810512
1-(5-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 105087174
1-(1-benzothiophen-3-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 115800455
N-[1-(1-benzothiophen-2-yl)ethyl]-2,4,6-trimethylaniline
CID 114909796
1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine
CID 65238920
1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115617548
1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine
CID 115854470
[1-(1-benzothiophen-2-yl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295339
2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 105096573
1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine
CID 114980128

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine (CID 115800832) is 1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine is CNC(Cc1cc(C)cc(C)c1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is XNYDCGXDINKHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-13-8-14(2)10-15(9-13)11-17(20-3)19-12-16-6-4-5-7-18(16)21-19/h4-10,12,17,20H,11H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine?
1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine has a molecular weight of 295.45 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 115800832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).