N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine

C15H16N2OS — CID 81297831

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCOc1cc(CNC2CSc3ccccc32)ccn1
InChIInChI=1S/C15H16N2OS/c1-18-15-8-11(6-7-16-15)9-17-13-10-19-14-5-3-2-4-12(13)14/h2-8,13,17H,9-10H2,1H3
InChIKeyKJIXRZHIQBWATL-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.03
Rot. Bonds4

About N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine

N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 81297831) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID81297831
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCOc1cc(CNC2CSc3ccccc32)ccn1
InChIInChI=1S/C15H16N2OS/c1-18-15-8-11(6-7-16-15)9-17-13-10-19-14-5-3-2-4-12(13)14/h2-8,13,17H,9-10H2,1H3
InChIKeyKJIXRZHIQBWATL-UHFFFAOYSA-N
XLogP3.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 62991827
N-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 78993343
3-[(2-methoxy-4-pyridinyl)methylamino]azepan-2-one
CID 62989736
3-[(2-methoxy-4-pyridinyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 62990923
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 104871414
3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 62991848
1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79742052
2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclopentan-1-amine
CID 113260129
N-[(2-methoxy-4-pyridinyl)methyl]azepan-4-amine
CID 113361573
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64763111
N-[(2-methoxy-4-pyridinyl)methyl]cyclohex-2-en-1-amine
CID 107906947
3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 62992022

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine (CID 81297831) is N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine is COc1cc(CNC2CSc3ccccc32)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is KJIXRZHIQBWATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-18-15-8-11(6-7-16-15)9-17-13-10-19-14-5-3-2-4-12(13)14/h2-8,13,17H,9-10H2,1H3.
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 272.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 81297831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).