N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine

C14H21NO2S — CID 81300282

IUPACN-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCOCCOCCCNC1CSc2ccccc21
InChIInChI=1S/C14H21NO2S/c1-16-9-10-17-8-4-7-15-13-11-18-14-6-3-2-5-12(13)14/h2-3,5-6,13,15H,4,7-11H2,1H3
InChIKeyAIRGSWBIVAQHDR-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.48
Rot. Bonds8

About N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine

N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 81300282) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID81300282
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCOCCOCCCNC1CSc2ccccc21
InChIInChI=1S/C14H21NO2S/c1-16-9-10-17-8-4-7-15-13-11-18-14-6-3-2-5-12(13)14/h2-3,5-6,13,15H,4,7-11H2,1H3
InChIKeyAIRGSWBIVAQHDR-UHFFFAOYSA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81301169
2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide
CID 113259968
N-[4-(2-methoxyethoxy)butyl]-3,4-dihydro-1H-isothiochromen-4-amine
CID 115715459
N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634729
2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol
CID 81302336
N-(4-methoxybutan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81333010
N-[[2-(methoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81301919
N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821247
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 43512948
N-(thian-4-ylmethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115719938
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide
CID 115711938
(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 7287154

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine (CID 81300282) is N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine is COCCOCCCNC1CSc2ccccc21.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is AIRGSWBIVAQHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-16-9-10-17-8-4-7-15-13-11-18-14-6-3-2-5-12(13)14/h2-3,5-6,13,15H,4,7-11H2,1H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine?
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 267.39 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 81300282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).