3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)cyclohexan-1-amine

C15H21NOS — CID 79465610

IUPAC3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)cyclohexan-1-amine
SMILESNC1CCCC(OCC2CSc3ccccc32)C1
InChIInChI=1S/C15H21NOS/c16-12-4-3-5-13(8-12)17-9-11-10-18-15-7-2-1-6-14(11)15/h1-2,6-7,11-13H,3-5,8-10,16H2
InChIKeyQIIISBABJLMPRW-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.16
Rot. Bonds3

About 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)cyclohexan-1-amine

3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)cyclohexan-1-amine (PubChem CID 79465610) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)cyclohexan-1-amine
PubChem CID79465610
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)cyclohexan-1-amine
SMILESNC1CCCC(OCC2CSc3ccccc32)C1
InChIInChI=1S/C15H21NOS/c16-12-4-3-5-13(8-12)17-9-11-10-18-15-7-2-1-6-14(11)15/h1-2,6-7,11-13H,3-5,8-10,16H2
InChIKeyQIIISBABJLMPRW-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)cyclohexan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)cyclohexan-1-amine (CID 79465610) is 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)cyclohexan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)cyclohexan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)cyclohexan-1-amine is NC1CCCC(OCC2CSc3ccccc32)C1.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)cyclohexan-1-amine?
The InChIKey is QIIISBABJLMPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c16-12-4-3-5-13(8-12)17-9-11-10-18-15-7-2-1-6-14(11)15/h1-2,6-7,11-13H,3-5,8-10,16H2.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)cyclohexan-1-amine?
3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)cyclohexan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)cyclohexan-1-amine is sourced from PubChem (CID 79465610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).