(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine

C17H18N2S — CID 104982897

IUPAC(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(N[C@@H](C)c1ccncc1)c1cc2ccccc2s1
InChIInChI=1S/C17H18N2S/c1-12(14-7-9-18-10-8-14)19-13(2)17-11-15-5-3-4-6-16(15)20-17/h3-13,19H,1-2H3/t12-,13?/m0/s1
InChIKeyDKEGYEUOKCAZMV-UEWDXFNNSA-N
MW282.41 g/mol
LogP4.71
Rot. Bonds4

About (1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine

(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine (PubChem CID 104982897) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine
PubChem CID104982897
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(N[C@@H](C)c1ccncc1)c1cc2ccccc2s1
InChIInChI=1S/C17H18N2S/c1-12(14-7-9-18-10-8-14)19-13(2)17-11-15-5-3-4-6-16(15)20-17/h3-13,19H,1-2H3/t12-,13?/m0/s1
InChIKeyDKEGYEUOKCAZMV-UEWDXFNNSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(3-bromophenyl)ethanamine
CID 104982875
(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 104982876
1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446195
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405873
(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-bromophenyl)ethanamine
CID 104982881
(1R)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405707
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43181009
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
CID 113250231
1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398579
1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
CID 114909767

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine (CID 104982897) is (1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine is CC(N[C@@H](C)c1ccncc1)c1cc2ccccc2s1.
What is the InChIKey of (1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine?
The InChIKey is DKEGYEUOKCAZMV-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12(14-7-9-18-10-8-14)19-13(2)17-11-15-5-3-4-6-16(15)20-17/h3-13,19H,1-2H3/t12-,13?/m0/s1.
What are the key properties of (1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine?
(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine has a molecular weight of 282.41 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 104982897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).