N,N-dimethyl-2-[3-(1-pyridin-4-ylethyl)-1-benzothiophen-2-yl]ethanamine

C19H22N2S — CID 11638166

IUPACN,N-dimethyl-2-[3-(1-pyridin-4-ylethyl)-1-benzothiophen-2-yl]ethanamine
SMILESCC(c1ccncc1)c1c(CCN(C)C)sc2ccccc12
InChIInChI=1S/C19H22N2S/c1-14(15-8-11-20-12-9-15)19-16-6-4-5-7-17(16)22-18(19)10-13-21(2)3/h4-9,11-12,14H,10,13H2,1-3H3
InChIKeyMDTGYTUAMOVSAG-UHFFFAOYSA-N
MW310.47 g/mol
LogP4.55
Rot. Bonds5

About N,N-dimethyl-2-[3-(1-pyridin-4-ylethyl)-1-benzothiophen-2-yl]ethanamine

N,N-dimethyl-2-[3-(1-pyridin-4-ylethyl)-1-benzothiophen-2-yl]ethanamine (PubChem CID 11638166) has the molecular formula C19H22N2S and a molecular weight of 310.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(1-pyridin-4-ylethyl)-1-benzothiophen-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(1-pyridin-4-ylethyl)-1-benzothiophen-2-yl]ethanamine
PubChem CID11638166
Molecular FormulaC19H22N2S
Molecular Weight310.47 g/mol
Exact Mass310.15
IUPAC NameN,N-dimethyl-2-[3-(1-pyridin-4-ylethyl)-1-benzothiophen-2-yl]ethanamine
SMILESCC(c1ccncc1)c1c(CCN(C)C)sc2ccccc12
InChIInChI=1S/C19H22N2S/c1-14(15-8-11-20-12-9-15)19-16-6-4-5-7-17(16)22-18(19)10-13-21(2)3/h4-9,11-12,14H,10,13H2,1-3H3
InChIKeyMDTGYTUAMOVSAG-UHFFFAOYSA-N
XLogP4.55
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(1-pyridin-4-ylethyl)-1-benzothiophen-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-(1-pyridin-4-ylethyl)-1-benzothiophen-2-yl]ethanamine (CID 11638166) is N,N-dimethyl-2-[3-(1-pyridin-4-ylethyl)-1-benzothiophen-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(1-pyridin-4-ylethyl)-1-benzothiophen-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-(1-pyridin-4-ylethyl)-1-benzothiophen-2-yl]ethanamine is CC(c1ccncc1)c1c(CCN(C)C)sc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[3-(1-pyridin-4-ylethyl)-1-benzothiophen-2-yl]ethanamine?
The InChIKey is MDTGYTUAMOVSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2S/c1-14(15-8-11-20-12-9-15)19-16-6-4-5-7-17(16)22-18(19)10-13-21(2)3/h4-9,11-12,14H,10,13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-(1-pyridin-4-ylethyl)-1-benzothiophen-2-yl]ethanamine?
N,N-dimethyl-2-[3-(1-pyridin-4-ylethyl)-1-benzothiophen-2-yl]ethanamine has a molecular weight of 310.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(1-pyridin-4-ylethyl)-1-benzothiophen-2-yl]ethanamine is sourced from PubChem (CID 11638166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).