N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine

C14H19NOS — CID 112589195

IUPACN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine
SMILESCC(C)(C)OCCNc1ccc2sccc2c1
InChIInChI=1S/C14H19NOS/c1-14(2,3)16-8-7-15-12-4-5-13-11(10-12)6-9-17-13/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyBNEVWGOKXZMHLW-UHFFFAOYSA-N
MW249.38 g/mol
LogP4.13
Rot. Bonds4

About N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine (PubChem CID 112589195) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine
PubChem CID112589195
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine
SMILESCC(C)(C)OCCNc1ccc2sccc2c1
InChIInChI=1S/C14H19NOS/c1-14(2,3)16-8-7-15-12-4-5-13-11(10-12)6-9-17-13/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyBNEVWGOKXZMHLW-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine (CID 112589195) is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine is CC(C)(C)OCCNc1ccc2sccc2c1.
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine?
The InChIKey is BNEVWGOKXZMHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-14(2,3)16-8-7-15-12-4-5-13-11(10-12)6-9-17-13/h4-6,9-10,15H,7-8H2,1-3H3.
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine?
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine has a molecular weight of 249.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine is sourced from PubChem (CID 112589195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).