N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine

C16H19NOS — CID 102648959

IUPACN-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)c1csc2ccccc12
InChIInChI=1S/C16H19NOS/c1-2-17-16(14-8-5-6-10-18-14)13-11-19-15-9-4-3-7-12(13)15/h3-4,7-9,11,16-17H,2,5-6,10H2,1H3
InChIKeyFIAITUWJRFGKFM-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.25
Rot. Bonds4

About N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine

N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine (PubChem CID 102648959) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
PubChem CID102648959
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)c1csc2ccccc12
InChIInChI=1S/C16H19NOS/c1-2-17-16(14-8-5-6-10-18-14)13-11-19-15-9-4-3-7-12(13)15/h3-4,7-9,11,16-17H,2,5-6,10H2,1H3
InChIKeyFIAITUWJRFGKFM-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102650251
N-[1-benzothiophen-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79693289
N-[1-benzothiophen-3-yl-(2-bromofuran-3-yl)methyl]ethanamine
CID 106851643
N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine
CID 103128405
N-[1-benzothiophen-3-yl-(2,6-dichlorophenyl)methyl]ethanamine
CID 43492363
N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102649448
N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine
CID 43492304
N-[1-benzothiophen-3-yl-(4-bromophenyl)methyl]ethanamine
CID 43492345
N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 102648838
N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 55108354
N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 102649227
1-benzothiophen-3-yl(2,3-dihydrofuran-5-yl)methanamine
CID 102653017

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine (CID 102648959) is N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine is CCNC(C1=CCCCO1)c1csc2ccccc12.
What is the InChIKey of N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
The InChIKey is FIAITUWJRFGKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-2-17-16(14-8-5-6-10-18-14)13-11-19-15-9-4-3-7-12(13)15/h3-4,7-9,11,16-17H,2,5-6,10H2,1H3.
What are the key properties of N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine has a molecular weight of 273.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine is sourced from PubChem (CID 102648959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).