N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine

C15H21NO2S — CID 60705007

IUPACN-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCc1csc2ccccc12
InChIInChI=1S/C15H21NO2S/c1-17-9-10-18-8-4-7-16-11-13-12-19-15-6-3-2-5-14(13)15/h2-3,5-6,12,16H,4,7-11H2,1H3
InChIKeyGDIMMTIMQNRMIM-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.04
Rot. Bonds9

About N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine

N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 60705007) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
PubChem CID60705007
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCc1csc2ccccc12
InChIInChI=1S/C15H21NO2S/c1-17-9-10-18-8-4-7-16-11-13-12-19-15-6-3-2-5-14(13)15/h2-3,5-6,12,16H,4,7-11H2,1H3
InChIKeyGDIMMTIMQNRMIM-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.04
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-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine
CID 115575834
N-(1-benzothiophen-3-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843966
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
1-(1-benzothiophen-3-yl)-4-(2-methoxyethoxy)butan-2-one
CID 102927339
N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 55021172
ethyl 4-(1-benzothiophen-3-ylmethylamino)butanoate
CID 64578346
2-(1-benzothiophen-3-ylmethylamino)ethanol
CID 60705162
1-(1-benzothiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802264
2-(1-benzothiophen-3-ylmethylamino)acetonitrile
CID 115131048
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115600164
N-(1-benzothiophen-3-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 60705100
N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 60704248

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine (CID 60705007) is N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine is COCCOCCCNCc1csc2ccccc12.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is GDIMMTIMQNRMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-17-9-10-18-8-4-7-16-11-13-12-19-15-6-3-2-5-14(13)15/h2-3,5-6,12,16H,4,7-11H2,1H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine?
N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 279.41 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 60705007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).