N-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine

C16H25NOS — CID 105165478

IUPACN-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine
SMILESCCCNC(COCCC)C1CSc2ccccc21
InChIInChI=1S/C16H25NOS/c1-3-9-17-15(11-18-10-4-2)14-12-19-16-8-6-5-7-13(14)16/h5-8,14-15,17H,3-4,9-12H2,1-2H3
InChIKeyROUXXZFSRIOEGW-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.67
Rot. Bonds8

About N-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine

N-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine (PubChem CID 105165478) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine
PubChem CID105165478
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine
SMILESCCCNC(COCCC)C1CSc2ccccc21
InChIInChI=1S/C16H25NOS/c1-3-9-17-15(11-18-10-4-2)14-12-19-16-8-6-5-7-13(14)16/h5-8,14-15,17H,3-4,9-12H2,1-2H3
InChIKeyROUXXZFSRIOEGW-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine 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

3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine
CID 105157909
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylhex-4-yn-1-amine
CID 105181597
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 105150379
N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]propan-1-amine
CID 105139620
N-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine
CID 105094887
N-[2,3-dihydro-1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
CID 105088283
N-[2,3-dihydro-1-benzothiophen-3-yl(furan-2-yl)methyl]propan-1-amine
CID 105147042
1-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine
CID 79220653
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethylheptan-1-amine
CID 105125987
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-methylpentan-1-amine
CID 105138341
N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79575553
N-(1-cyclobutyl-2-propoxyethyl)propan-1-amine
CID 79574757

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine (CID 105165478) is N-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine is CCCNC(COCCC)C1CSc2ccccc21.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine?
The InChIKey is ROUXXZFSRIOEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-9-17-15(11-18-10-4-2)14-12-19-16-8-6-5-7-13(14)16/h5-8,14-15,17H,3-4,9-12H2,1-2H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine?
N-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine is sourced from PubChem (CID 105165478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).