1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine

C18H20N2S — CID 66446195

IUPAC1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
SMILESCCNC(c1cc2ccccc2s1)C(C)c1ccncc1
InChIInChI=1S/C18H20N2S/c1-3-20-18(13(2)14-8-10-19-11-9-14)17-12-15-6-4-5-7-16(15)21-17/h4-13,18,20H,3H2,1-2H3
InChIKeyQHUVALGLXKQPEC-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.75
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine

1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine (PubChem CID 66446195) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
PubChem CID66446195
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
SMILESCCNC(c1cc2ccccc2s1)C(C)c1ccncc1
InChIInChI=1S/C18H20N2S/c1-3-20-18(13(2)14-8-10-19-11-9-14)17-12-15-6-4-5-7-16(15)21-17/h4-13,18,20H,3H2,1-2H3
InChIKeyQHUVALGLXKQPEC-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446000
(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 104982897
N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 79218018
1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 106854815
1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446198
1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine
CID 114013577
1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine
CID 115835557
1-(5-bromo-2-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446193
2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757
N-ethyl-2-methyl-1-pyridin-4-ylpropan-1-amine
CID 60820043
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 104853272

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine (CID 66446195) is 1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine is CCNC(c1cc2ccccc2s1)C(C)c1ccncc1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
The InChIKey is QHUVALGLXKQPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-3-20-18(13(2)14-8-10-19-11-9-14)17-12-15-6-4-5-7-16(15)21-17/h4-13,18,20H,3H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine has a molecular weight of 296.44 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66446195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).