2-[3-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine

C20H24N2OS — CID 46884120

IUPAC2-[3-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
SMILESCOc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12
InChIInChI=1S/C20H24N2OS/c1-14(20-16(23-4)9-7-12-21-20)19-15-8-5-6-10-17(15)24-18(19)11-13-22(2)3/h5-10,12,14H,11,13H2,1-4H3/t14-/m1/s1
InChIKeySROGIGROUAOOFN-CQSZACIVSA-N
MW340.49 g/mol
LogP4.56
Rot. Bonds6

About 2-[3-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine

2-[3-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine (PubChem CID 46884120) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-[3-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
PubChem CID46884120
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-[3-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
SMILESCOc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12
InChIInChI=1S/C20H24N2OS/c1-14(20-16(23-4)9-7-12-21-20)19-15-8-5-6-10-17(15)24-18(19)11-13-22(2)3/h5-10,12,14H,11,13H2,1-4H3/t14-/m1/s1
InChIKeySROGIGROUAOOFN-CQSZACIVSA-N
XLogP4.56
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine (CID 46884120) is 2-[3-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine is COc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12.
What is the InChIKey of 2-[3-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
The InChIKey is SROGIGROUAOOFN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-14(20-16(23-4)9-7-12-21-20)19-15-8-5-6-10-17(15)24-18(19)11-13-22(2)3/h5-10,12,14H,11,13H2,1-4H3/t14-/m1/s1.
What are the key properties of 2-[3-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine?
2-[3-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine has a molecular weight of 340.49 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 46884120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).