N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine

C18H20N2S — CID 105172803

IUPACN-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cccnc1C)c1cccc2ccsc12
InChIInChI=1S/C18H20N2S/c1-3-10-20-17(15-8-5-11-19-13(15)2)16-7-4-6-14-9-12-21-18(14)16/h4-9,11-12,17,20H,3,10H2,1-2H3
InChIKeyHXHXJHFFCIYZAO-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.69
Rot. Bonds5

About N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine

N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 105172803) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID105172803
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cccnc1C)c1cccc2ccsc12
InChIInChI=1S/C18H20N2S/c1-3-10-20-17(15-8-5-11-19-13(15)2)16-7-4-6-14-9-12-21-18(14)16/h4-9,11-12,17,20H,3,10H2,1-2H3
InChIKeyHXHXJHFFCIYZAO-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 81153078
N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine
CID 81153684
N-[1-benzothiophen-7-yl-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 105021891
N-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105096996
N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine
CID 81153084
1-(1-benzothiophen-7-yl)-N-propylpentan-1-amine
CID 81153216
N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105095268
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
1-(1-benzothiophen-7-yl)-N-propylheptan-1-amine
CID 105021936
1-(1-benzothiophen-7-yl)-2-ethoxy-N-propylpentan-1-amine
CID 116718196
N-[(2-methyl-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105173897
N-[1-benzothiophen-7-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105021991

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine (CID 105172803) is N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cccnc1C)c1cccc2ccsc12.
What is the InChIKey of N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is HXHXJHFFCIYZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-3-10-20-17(15-8-5-11-19-13(15)2)16-7-4-6-14-9-12-21-18(14)16/h4-9,11-12,17,20H,3,10H2,1-2H3.
What are the key properties of N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 296.44 g/mol, XLogP of 4.69, 5 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-(2-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105172803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).