N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine

C15H19NOS — CID 115718255

IUPACN-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine
SMILESCC(NC1CCOCC1)c1cc2ccccc2s1
InChIInChI=1S/C15H19NOS/c1-11(16-13-6-8-17-9-7-13)15-10-12-4-2-3-5-14(12)18-15/h2-5,10-11,13,16H,6-9H2,1H3
InChIKeyBCHDVUUFEHINPU-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.73
Rot. Bonds3

About N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine

N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine (PubChem CID 115718255) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine
PubChem CID115718255
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine
SMILESCC(NC1CCOCC1)c1cc2ccccc2s1
InChIInChI=1S/C15H19NOS/c1-11(16-13-6-8-17-9-7-13)15-10-12-4-2-3-5-14(12)18-15/h2-5,10-11,13,16H,6-9H2,1H3
InChIKeyBCHDVUUFEHINPU-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
CID 104982899
N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
CID 113250231
N-[1-(1-benzothiophen-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 114909997
N-(1-phenylethyl)oxan-4-amine
CID 43608319
1-(1-benzothiophen-2-yl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 114909813
N-[(1S)-1-thiophen-2-ylethyl]oxepan-4-amine
CID 81398399
N-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115718237
N-[(1S)-1-thiophen-2-ylethyl]oxolan-3-amine
CID 81398144
N-[(1R)-1-thiophen-2-ylethyl]oxolan-3-amine
CID 81398410
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
N-[1-(4-bromothiophen-2-yl)ethyl]oxan-4-amine
CID 107167286
2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene
CID 162107296

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine (CID 115718255) is N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine is CC(NC1CCOCC1)c1cc2ccccc2s1.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine?
The InChIKey is BCHDVUUFEHINPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-11(16-13-6-8-17-9-7-13)15-10-12-4-2-3-5-14(12)18-15/h2-5,10-11,13,16H,6-9H2,1H3.
What are the key properties of N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine?
N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine has a molecular weight of 261.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 115718255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).