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'}

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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).