N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine

C16H21NOS — CID 81153499

IUPACN-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc2ccsc12)C1CCCOC1
InChIInChI=1S/C16H21NOS/c1-2-17-15(13-6-4-9-18-11-13)14-7-3-5-12-8-10-19-16(12)14/h3,5,7-8,10,13,15,17H,2,4,6,9,11H2,1H3
InChIKeyHAYBBLIWZXBOJU-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.98
Rot. Bonds4

About N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine

N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine (PubChem CID 81153499) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine
PubChem CID81153499
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc2ccsc12)C1CCCOC1
InChIInChI=1S/C16H21NOS/c1-2-17-15(13-6-4-9-18-11-13)14-7-3-5-12-8-10-19-16(12)14/h3,5,7-8,10,13,15,17H,2,4,6,9,11H2,1H3
InChIKeyHAYBBLIWZXBOJU-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine
CID 81153210
N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine
CID 105022130
N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107137030
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 107139269
1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine
CID 81153893
N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 65332034
N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704
1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine
CID 81153093
N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138881
N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 63011043

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine (CID 81153499) is N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine is CCNC(c1cccc2ccsc12)C1CCCOC1.
What is the InChIKey of N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine?
The InChIKey is HAYBBLIWZXBOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-2-17-15(13-6-4-9-18-11-13)14-7-3-5-12-8-10-19-16(12)14/h3,5,7-8,10,13,15,17H,2,4,6,9,11H2,1H3.
What are the key properties of N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine?
N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 81153499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).