N-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine

C16H23NO2S — CID 62456910

IUPACN-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
SMILESCOCCOCc1c(CNC(C)C)sc2ccccc12
InChIInChI=1S/C16H23NO2S/c1-12(2)17-10-16-14(11-19-9-8-18-3)13-6-4-5-7-15(13)20-16/h4-7,12,17H,8-11H2,1-3H3
InChIKeyVIBFYTYRMNNYEZ-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.56
Rot. Bonds8

About N-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine

N-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine (PubChem CID 62456910) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
PubChem CID62456910
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
SMILESCOCCOCc1c(CNC(C)C)sc2ccccc12
InChIInChI=1S/C16H23NO2S/c1-12(2)17-10-16-14(11-19-9-8-18-3)13-6-4-5-7-15(13)20-16/h4-7,12,17H,8-11H2,1-3H3
InChIKeyVIBFYTYRMNNYEZ-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.56
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-(propoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 62451509
N-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 62444036
N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378013
1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62445616
3-(2-methoxyethoxymethyl)-1-benzothiophene-2-carboxylic acid
CID 43332567
N-[[3-(pentoxymethyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 62450074
N-[[3-[2-(dimethylamino)ethoxymethyl]-1-benzothiophen-2-yl]methyl]propan-1-amine
CID 62459638
N-[[3-(imidazol-1-ylmethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 62448315
1-[4-fluoro-3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62457697
N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 104566770
1-methoxy-2-(2-methoxyethoxy)ethane;thioxanthen-9-one
CID 165009765
N-[[3-[[2-methoxyethyl(methyl)amino]methyl]-1-benzothiophen-2-yl]methyl]propan-1-amine
CID 62446892

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine (CID 62456910) is N-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine is COCCOCc1c(CNC(C)C)sc2ccccc12.
What is the InChIKey of N-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine?
The InChIKey is VIBFYTYRMNNYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-12(2)17-10-16-14(11-19-9-8-18-3)13-6-4-5-7-15(13)20-16/h4-7,12,17H,8-11H2,1-3H3.
What are the key properties of N-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine?
N-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine has a molecular weight of 293.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62456910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).