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

C38H44N4S2 — CID 158595025

IUPACN,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine
SMILESC[C@@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12.C[C@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12
InChIInChI=1S/2C19H22N2S/c2*1-14(16-9-6-7-12-20-16)19-15-8-4-5-10-17(15)22-18(19)11-13-21(2)3/h2*4-10,12,14H,11,13H2,1-3H3/t2*14-/m10/s1
InChIKeyHUXQEBHEPCEVDV-IKFJUQJOSA-N
MW620.93 g/mol
LogP9.10
Rot. Bonds10

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

N,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine (PubChem CID 158595025) has the molecular formula C38H44N4S2 and a molecular weight of 620.93 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine
PubChem CID158595025
Molecular FormulaC38H44N4S2
Molecular Weight620.93 g/mol
Exact Mass620.30
IUPAC NameN,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine
SMILESC[C@@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12.C[C@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12
InChIInChI=1S/2C19H22N2S/c2*1-14(16-9-6-7-12-20-16)19-15-8-4-5-10-17(15)22-18(19)11-13-21(2)3/h2*4-10,12,14H,11,13H2,1-3H3/t2*14-/m10/s1
InChIKeyHUXQEBHEPCEVDV-IKFJUQJOSA-N
XLogP9.10
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.93
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine (CID 158595025) is N,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine is C[C@@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12.C[C@H](c1ccccn1)c1c(CCN(C)C)sc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine?
The InChIKey is HUXQEBHEPCEVDV-IKFJUQJOSA-N. The full InChI is InChI=1S/2C19H22N2S/c2*1-14(16-9-6-7-12-20-16)19-15-8-4-5-10-17(15)22-18(19)11-13-21(2)3/h2*4-10,12,14H,11,13H2,1-3H3/t2*14-/m10/s1.
What are the key properties of N,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine?
N,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine has a molecular weight of 620.93 g/mol, XLogP of 9.10, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine is sourced from PubChem (CID 158595025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).