1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine

C17H18N2OS — CID 104579268

IUPAC1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2cc3ccccc3s2)cn1
InChIInChI=1S/C17H18N2OS/c1-12(16-9-14-5-3-4-6-15(14)21-16)18-10-13-7-8-17(20-2)19-11-13/h3-9,11-12,18H,10H2,1-2H3
InChIKeyWBNXRYMQASQAKH-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.16
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine

1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 104579268) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID104579268
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2cc3ccccc3s2)cn1
InChIInChI=1S/C17H18N2OS/c1-12(16-9-14-5-3-4-6-15(14)21-16)18-10-13-7-8-17(20-2)19-11-13/h3-9,11-12,18H,10H2,1-2H3
InChIKeyWBNXRYMQASQAKH-UHFFFAOYSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine with MolForge

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43206293
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 43206290
1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115617548
N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine
CID 114983145
(1R)-1-(3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 28712390
1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine
CID 114909932
1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine
CID 114909642
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine
CID 28712310
1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 43770459

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine (CID 104579268) is 1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine is COc1ccc(CNC(C)c2cc3ccccc3s2)cn1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is WBNXRYMQASQAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12(16-9-14-5-3-4-6-15(14)21-16)18-10-13-7-8-17(20-2)19-11-13/h3-9,11-12,18H,10H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine?
1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 298.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 104579268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).