N'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine

C15H22N2OS — CID 139922986

IUPACN'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNCCOCCc1ccc2sccc2c1
InChIInChI=1S/C15H22N2OS/c1-16-6-7-17-8-10-18-9-4-13-2-3-15-14(12-13)5-11-19-15/h2-3,5,11-12,16-17H,4,6-10H2,1H3
InChIKeyYZUMOJDNNVKAKM-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.27
Rot. Bonds9

About N'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine

N'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine (PubChem CID 139922986) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine
PubChem CID139922986
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNCCOCCc1ccc2sccc2c1
InChIInChI=1S/C15H22N2OS/c1-16-6-7-17-8-10-18-9-4-13-2-3-15-14(12-13)5-11-19-15/h2-3,5,11-12,16-17H,4,6-10H2,1H3
InChIKeyYZUMOJDNNVKAKM-UHFFFAOYSA-N
XLogP2.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine
CID 141030590
2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol
CID 22666350
1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-[3-(4-methoxyphenyl)propyl]piperazine
CID 139810904
2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 139922968
5-(ethoxymethyl)-1-benzothiophene
CID 102099380
2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-methylamino]ethyl 2,2-dimethylpropanoate;hydrochloride
CID 22666508
2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide
CID 22666560
N-[2-(2-methoxyethoxy)ethyl]-1-benzothiophen-5-amine
CID 65473732
1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-(thiophen-2-ylmethyl)piperazine
CID 139810822
1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]pyrrolidin-3-ol;hydrate
CID 172697943
2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-benzylamino]ethanol;oxalic acid
CID 22666528
[1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]pyrrolidin-3-yl]carbamic acid
CID 86597344

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine (CID 139922986) is N'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine is CNCCNCCOCCc1ccc2sccc2c1.
What is the InChIKey of N'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine?
The InChIKey is YZUMOJDNNVKAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-16-6-7-17-8-10-18-9-4-13-2-3-15-14(12-13)5-11-19-15/h2-3,5,11-12,16-17H,4,6-10H2,1H3.
What are the key properties of N'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine?
N'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine has a molecular weight of 278.42 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 139922986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).