N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine

C20H24N2S — CID 11500781

IUPACN,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine
SMILESCc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12
InChIInChI=1S/C20H24N2S/c1-14-8-7-12-21-20(14)15(2)19-16-9-5-6-10-17(16)23-18(19)11-13-22(3)4/h5-10,12,15H,11,13H2,1-4H3/t15-/m1/s1
InChIKeyKJQCJXUDPPZASI-OAHLLOKOSA-N
MW324.49 g/mol
LogP4.86
Rot. Bonds5

About N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine

N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine (PubChem CID 11500781) has the molecular formula C20H24N2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine
PubChem CID11500781
Molecular FormulaC20H24N2S
Molecular Weight324.49 g/mol
Exact Mass324.17
IUPAC NameN,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine
SMILESCc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12
InChIInChI=1S/C20H24N2S/c1-14-8-7-12-21-20(14)15(2)19-16-9-5-6-10-17(16)23-18(19)11-13-22(3)4/h5-10,12,15H,11,13H2,1-4H3/t15-/m1/s1
InChIKeyKJQCJXUDPPZASI-OAHLLOKOSA-N
XLogP4.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.86
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-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine (CID 11500781) is N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine is Cc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine?
The InChIKey is KJQCJXUDPPZASI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2S/c1-14-8-7-12-21-20(14)15(2)19-16-9-5-6-10-17(16)23-18(19)11-13-22(3)4/h5-10,12,15H,11,13H2,1-4H3/t15-/m1/s1.
What are the key properties of N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine?
N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine has a molecular weight of 324.49 g/mol, XLogP of 4.86, 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-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine is sourced from PubChem (CID 11500781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).