N-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine

C19H22N2S — CID 25265810

IUPACN-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine
SMILESC[C@@H](c1ccccn1)c1c(CCN(C)[14CH3])sc2ccccc12
InChIInChI=1S/C19H22N2S/c1-14(16-9-6-7-12-20-16)19-15-8-4-5-10-17(15)22-18(19)11-13-21(2)3/h4-10,12,14H,11,13H2,1-3H3/t14-/m0/s1/i2+2
InChIKeyNANQRVOKMXDMNL-DNYMGTKASA-N
MW312.46 g/mol
LogP4.55
Rot. Bonds5

About N-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine

N-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine (PubChem CID 25265810) has the molecular formula C19H22N2S and a molecular weight of 312.46 g/mol. Its IUPAC name is N-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine
PubChem CID25265810
Molecular FormulaC19H22N2S
Molecular Weight312.46 g/mol
Exact Mass312.15
IUPAC NameN-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine
SMILESC[C@@H](c1ccccn1)c1c(CCN(C)[14CH3])sc2ccccc12
InChIInChI=1S/C19H22N2S/c1-14(16-9-6-7-12-20-16)19-15-8-4-5-10-17(15)22-18(19)11-13-21(2)3/h4-10,12,14H,11,13H2,1-3H3/t14-/m0/s1/i2+2
InChIKeyNANQRVOKMXDMNL-DNYMGTKASA-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 ≤ 500312.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine with MolForge

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Related Compounds

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
2-[(1S)-1-[2-[2-(azetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine
CID 69217775
2-methoxy-3-[(1S)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine
CID 69215935
3-(1-ethoxyethyl)-2-propyl-1-benzothiophene
CID 101433467
(1S)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 81392899
1-methoxy-N,N-dimethyl-1-pyridin-2-ylmethanamine
CID 116914548
ethane;2-(1-phenylethyl)pyridine
CID 143899083
2-pyridin-2-ylpropan-1-amine
CID 21481533
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675
N'-methyl-N'-propan-2-yl-N-(1-pyridin-2-ylethyl)propane-1,3-diamine
CID 113343834
N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378013

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine?
The IUPAC name of N-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine (CID 25265810) is N-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine.
What is the SMILES notation for N-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine?
The canonical SMILES for N-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine is C[C@@H](c1ccccn1)c1c(CCN(C)[14CH3])sc2ccccc12.
What is the InChIKey of N-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine?
The InChIKey is NANQRVOKMXDMNL-DNYMGTKASA-N. The full InChI is InChI=1S/C19H22N2S/c1-14(16-9-6-7-12-20-16)19-15-8-4-5-10-17(15)22-18(19)11-13-21(2)3/h4-10,12,14H,11,13H2,1-3H3/t14-/m0/s1/i2+2.
What are the key properties of N-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine?
N-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine has a molecular weight of 312.46 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-methyl-N-(114C)methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine is sourced from PubChem (CID 25265810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).