1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine

C18H19NOS — CID 115952256

IUPAC1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCc1csc2ccccc12
InChIInChI=1S/C18H19NOS/c1-13-6-5-7-14(10-19-2)18(13)20-11-15-12-21-17-9-4-3-8-16(15)17/h3-9,12,19H,10-11H2,1-2H3
InChIKeyGEQDYLMZIVZHFC-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.51
Rot. Bonds5

About 1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine

1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine (PubChem CID 115952256) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine
PubChem CID115952256
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cccc(C)c1OCc1csc2ccccc12
InChIInChI=1S/C18H19NOS/c1-13-6-5-7-14(10-19-2)18(13)20-11-15-12-21-17-9-4-3-8-16(15)17/h3-9,12,19H,10-11H2,1-2H3
InChIKeyGEQDYLMZIVZHFC-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine 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-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952135
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398
1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine
CID 63743330
1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952132
[2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine
CID 63743487
2-fluoro-3-[[2-methyl-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 107114294
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
1-[2-[(3,4-dichlorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952133
1-[2-[(3-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 112608310
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
CID 117170894

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine (CID 115952256) is 1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine is CNCc1cccc(C)c1OCc1csc2ccccc12.
What is the InChIKey of 1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine?
The InChIKey is GEQDYLMZIVZHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-13-6-5-7-14(10-19-2)18(13)20-11-15-12-21-17-9-4-3-8-16(15)17/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of 1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine?
1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine has a molecular weight of 297.42 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 115952256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).