N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine

C15H19NOS — CID 62713547

IUPACN-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CC1c1csc2ccccc12
InChIInChI=1S/C15H19NOS/c1-17-7-6-16-9-11-8-13(11)14-10-18-15-5-3-2-4-12(14)15/h2-5,10-11,13,16H,6-9H2,1H3
InChIKeyHJWUHXKIWMGOTN-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.24
Rot. Bonds6

About N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine

N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine (PubChem CID 62713547) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine
PubChem CID62713547
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CC1c1csc2ccccc12
InChIInChI=1S/C15H19NOS/c1-17-7-6-16-9-11-8-13(11)14-10-18-15-5-3-2-4-12(14)15/h2-5,10-11,13,16H,6-9H2,1H3
InChIKeyHJWUHXKIWMGOTN-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine 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

2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62714428
2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine
CID 79234716
N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62712834
N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62712121
2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine
CID 104771675
N-[[2-(2-bromophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365257
2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62713194
2-(1-benzothiophen-3-ylmethylidene)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79339843
N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 60705007
2-methoxy-N-[[2-(4-nitrophenyl)cyclopropyl]methyl]ethanamine
CID 62712107
N-(1-benzothiophen-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843966
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 65101607

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine (CID 62713547) is N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine is COCCNCC1CC1c1csc2ccccc12.
What is the InChIKey of N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine?
The InChIKey is HJWUHXKIWMGOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-17-7-6-16-9-11-8-13(11)14-10-18-15-5-3-2-4-12(14)15/h2-5,10-11,13,16H,6-9H2,1H3.
What are the key properties of N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine?
N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62713547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).