N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine

C16H18N2S — CID 79221155

IUPACN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine
SMILESCC(NCC1CSc2ccccc21)c1ccccn1
InChIInChI=1S/C16H18N2S/c1-12(15-7-4-5-9-17-15)18-10-13-11-19-16-8-3-2-6-14(13)16/h2-9,12-13,18H,10-11H2,1H3
InChIKeyNGEFAGQHOSAXKQ-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.62
Rot. Bonds4

About N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine

N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine (PubChem CID 79221155) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine
PubChem CID79221155
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine
SMILESCC(NCC1CSc2ccccc21)c1ccccn1
InChIInChI=1S/C16H18N2S/c1-12(15-7-4-5-9-17-15)18-10-13-11-19-16-8-3-2-6-14(13)16/h2-9,12-13,18H,10-11H2,1H3
InChIKeyNGEFAGQHOSAXKQ-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81301992
1-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methylbutan-2-amine
CID 79244267
N-(cyclopentylmethyl)-1-pyridin-2-ylethanamine
CID 21279046
N-(cyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 21278980
N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine
CID 21279072
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 79223198
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 79206268
2-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-N-ethylpropane-1,2-diamine
CID 113407264
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]propan-2-amine
CID 79221515
(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162329

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine (CID 79221155) is N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine is CC(NCC1CSc2ccccc21)c1ccccn1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine?
The InChIKey is NGEFAGQHOSAXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-12(15-7-4-5-9-17-15)18-10-13-11-19-16-8-3-2-6-14(13)16/h2-9,12-13,18H,10-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine?
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine has a molecular weight of 270.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-pyridin-2-ylethanamine is sourced from PubChem (CID 79221155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).