1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine

C16H16N2S — CID 66448229

IUPAC1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCc1cccnc1CC(N)c1csc2ccccc12
InChIInChI=1S/C16H16N2S/c1-11-5-4-8-18-15(11)9-14(17)13-10-19-16-7-3-2-6-12(13)16/h2-8,10,14H,9,17H2,1H3
InChIKeyQZFSNYDWNOEIMO-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.85
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine

1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 66448229) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine
PubChem CID66448229
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCc1cccnc1CC(N)c1csc2ccccc12
InChIInChI=1S/C16H16N2S/c1-11-5-4-8-18-15(11)9-14(17)13-10-19-16-7-3-2-6-12(13)16/h2-8,10,14H,9,17H2,1H3
InChIKeyQZFSNYDWNOEIMO-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447856
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
1-(2,3-dichlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448228
(1S)-1-(1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 29081655
1-(1-benzothiophen-3-yl)-2-(4-fluorophenyl)ethanamine
CID 43150893
1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104989989
(1S)-1-(1-benzothiophen-3-yl)-4,4,4-trifluorobutan-1-amine
CID 171224591
2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 63737255
1-benzothiophen-3-yl(quinolin-5-yl)methanamine
CID 115604927
1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66449000
1-(4-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446075
1-(2-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 114027773

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine (CID 66448229) is 1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine is Cc1cccnc1CC(N)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is QZFSNYDWNOEIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-5-4-8-18-15(11)9-14(17)13-10-19-16-7-3-2-6-12(13)16/h2-8,10,14H,9,17H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine?
1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine has a molecular weight of 268.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66448229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).