2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-(2-methoxyethyl)pentan-1-amine

C17H27NOS — CID 79227819

IUPAC2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-(2-methoxyethyl)pentan-1-amine
SMILESCCCC(CNCCOC)CC1Cc2ccccc2S1
InChIInChI=1S/C17H27NOS/c1-3-6-14(13-18-9-10-19-2)11-16-12-15-7-4-5-8-17(15)20-16/h4-5,7-8,14,16,18H,3,6,9-13H2,1-2H3
InChIKeyIZPFTZFDQXEXJC-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.75
Rot. Bonds9

About 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-(2-methoxyethyl)pentan-1-amine

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-(2-methoxyethyl)pentan-1-amine (PubChem CID 79227819) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-(2-methoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-(2-methoxyethyl)pentan-1-amine
PubChem CID79227819
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-(2-methoxyethyl)pentan-1-amine
SMILESCCCC(CNCCOC)CC1Cc2ccccc2S1
InChIInChI=1S/C17H27NOS/c1-3-6-14(13-18-9-10-19-2)11-16-12-15-7-4-5-8-17(15)20-16/h4-5,7-8,14,16,18H,3,6,9-13H2,1-2H3
InChIKeyIZPFTZFDQXEXJC-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(chloromethyl)pentyl]-2,3-dihydro-1-benzothiophene
CID 79224178
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine
CID 79223006
4-(2,3-dihydro-1-benzothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 79224662
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N,4-dimethylpentan-1-amine
CID 79227512
2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine
CID 62718489
N-[[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720338
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-methoxypropan-2-amine
CID 79213714
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methyl-N-propylpentan-2-amine
CID 79228809
2-(3-bromo-2-methylbutyl)-2,3-dihydro-1-benzothiophene
CID 79228756
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 62718813
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
CID 79213710

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-(2-methoxyethyl)pentan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-(2-methoxyethyl)pentan-1-amine (CID 79227819) is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-(2-methoxyethyl)pentan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-(2-methoxyethyl)pentan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-(2-methoxyethyl)pentan-1-amine is CCCC(CNCCOC)CC1Cc2ccccc2S1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-(2-methoxyethyl)pentan-1-amine?
The InChIKey is IZPFTZFDQXEXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-3-6-14(13-18-9-10-19-2)11-16-12-15-7-4-5-8-17(15)20-16/h4-5,7-8,14,16,18H,3,6,9-13H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-(2-methoxyethyl)pentan-1-amine?
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-(2-methoxyethyl)pentan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-(2-methoxyethyl)pentan-1-amine is sourced from PubChem (CID 79227819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).