1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine

C19H21NS — CID 81128451

IUPAC1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1cccc2ccsc12
InChIInChI=1S/C19H21NS/c1-13-7-8-15(11-14(13)2)12-18(20-3)17-6-4-5-16-9-10-21-19(16)17/h4-11,18,20H,12H2,1-3H3
InChIKeySFVKLTKSPKYGRI-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.02
Rot. Bonds4

About 1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine

1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine (PubChem CID 81128451) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
PubChem CID81128451
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1cccc2ccsc12
InChIInChI=1S/C19H21NS/c1-13-7-8-15(11-14(13)2)12-18(20-3)17-6-4-5-16-9-10-21-19(16)17/h4-11,18,20H,12H2,1-3H3
InChIKeySFVKLTKSPKYGRI-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-7-yl)-2-(3,4-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-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81129107
[1-(1-benzothiophen-7-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211276
1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63415502
2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 62537490
N-[1-benzothiophen-7-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105021991
1-(1-benzothiophen-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81152982
1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105021764
1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine
CID 105022083
1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107513318
1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 81153387
1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 105021845
[1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105206637

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine (CID 81128451) is 1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine is CNC(Cc1ccc(C)c(C)c1)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The InChIKey is SFVKLTKSPKYGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-13-7-8-15(11-14(13)2)12-18(20-3)17-6-4-5-16-9-10-21-19(16)17/h4-11,18,20H,12H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
1-(1-benzothiophen-7-yl)-2-(3,4-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-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 81128451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).