3-(1-benzothiophen-4-yloxy)-N-methylhexan-1-amine

C15H21NOS — CID 10061327

IUPAC3-(1-benzothiophen-4-yloxy)-N-methylhexan-1-amine
SMILESCCCC(CCNC)Oc1cccc2sccc12
InChIInChI=1S/C15H21NOS/c1-3-5-12(8-10-16-2)17-14-6-4-7-15-13(14)9-11-18-15/h4,6-7,9,11-12,16H,3,5,8,10H2,1-2H3
InChIKeyAOFTVODDRPMYQN-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.06
Rot. Bonds7

About 3-(1-benzothiophen-4-yloxy)-N-methylhexan-1-amine

3-(1-benzothiophen-4-yloxy)-N-methylhexan-1-amine (PubChem CID 10061327) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-(1-benzothiophen-4-yloxy)-N-methylhexan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-4-yloxy)-N-methylhexan-1-amine
PubChem CID10061327
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name3-(1-benzothiophen-4-yloxy)-N-methylhexan-1-amine
SMILESCCCC(CCNC)Oc1cccc2sccc12
InChIInChI=1S/C15H21NOS/c1-3-5-12(8-10-16-2)17-14-6-4-7-15-13(14)9-11-18-15/h4,6-7,9,11-12,16H,3,5,8,10H2,1-2H3
InChIKeyAOFTVODDRPMYQN-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-4-yloxy)-N-methylhexan-1-amine?
The IUPAC name of 3-(1-benzothiophen-4-yloxy)-N-methylhexan-1-amine (CID 10061327) is 3-(1-benzothiophen-4-yloxy)-N-methylhexan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-4-yloxy)-N-methylhexan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-4-yloxy)-N-methylhexan-1-amine is CCCC(CCNC)Oc1cccc2sccc12.
What is the InChIKey of 3-(1-benzothiophen-4-yloxy)-N-methylhexan-1-amine?
The InChIKey is AOFTVODDRPMYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-3-5-12(8-10-16-2)17-14-6-4-7-15-13(14)9-11-18-15/h4,6-7,9,11-12,16H,3,5,8,10H2,1-2H3.
What are the key properties of 3-(1-benzothiophen-4-yloxy)-N-methylhexan-1-amine?
3-(1-benzothiophen-4-yloxy)-N-methylhexan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-4-yloxy)-N-methylhexan-1-amine is sourced from PubChem (CID 10061327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).