5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol

C15H21NOS — CID 104579334

IUPAC5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol
SMILESCC(NCCCCCO)c1cc2ccccc2s1
InChIInChI=1S/C15H21NOS/c1-12(16-9-5-2-6-10-17)15-11-13-7-3-4-8-14(13)18-15/h3-4,7-8,11-12,16-17H,2,5-6,9-10H2,1H3
InChIKeyNFUWEMFKIMYVRM-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.71
Rot. Bonds7

About 5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol

5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol (PubChem CID 104579334) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol
PubChem CID104579334
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol
SMILESCC(NCCCCCO)c1cc2ccccc2s1
InChIInChI=1S/C15H21NOS/c1-12(16-9-5-2-6-10-17)15-11-13-7-3-4-8-14(13)18-15/h3-4,7-8,11-12,16-17H,2,5-6,9-10H2,1H3
InChIKeyNFUWEMFKIMYVRM-UHFFFAOYSA-N
XLogP3.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine
CID 114983145
1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
3-[2-[1-(1-benzothiophen-2-yl)ethylamino]ethyl]-1,1-dimethylurea
CID 114910040
1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol
CID 113429047
5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
CID 81408361
1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine
CID 114909642
N-[2-[1-(1-benzothiophen-2-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 114910077
N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine
CID 104579324
5-(1-naphthalen-2-ylethylamino)pentan-1-ol
CID 103912661
1-(1-benzothiophen-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114909795
1-(1-benzothiophen-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 114909896
1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine
CID 114909932

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol?
The IUPAC name of 5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol (CID 104579334) is 5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol is CC(NCCCCCO)c1cc2ccccc2s1.
What is the InChIKey of 5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol?
The InChIKey is NFUWEMFKIMYVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-12(16-9-5-2-6-10-17)15-11-13-7-3-4-8-14(13)18-15/h3-4,7-8,11-12,16-17H,2,5-6,9-10H2,1H3.
What are the key properties of 5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol?
5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol has a molecular weight of 263.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 104579334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).