3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-morpholin-4-ylpropan-1-amine

C23H28N2OS — CID 54767745

IUPAC3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(CCC(c1cc2ccccc2s1)N1CCOCC1)Cc1ccccc1
InChIInChI=1S/C23H28N2OS/c1-24(18-19-7-3-2-4-8-19)12-11-21(25-13-15-26-16-14-25)23-17-20-9-5-6-10-22(20)27-23/h2-10,17,21H,11-16,18H2,1H3
InChIKeyPIBFRRUEZPEANJ-UHFFFAOYSA-N
MW380.56 g/mol
LogP4.80
Rot. Bonds7

About 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-morpholin-4-ylpropan-1-amine

3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 54767745) has the molecular formula C23H28N2OS and a molecular weight of 380.56 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-morpholin-4-ylpropan-1-amine
PubChem CID54767745
Molecular FormulaC23H28N2OS
Molecular Weight380.56 g/mol
Exact Mass380.19
IUPAC Name3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(CCC(c1cc2ccccc2s1)N1CCOCC1)Cc1ccccc1
InChIInChI=1S/C23H28N2OS/c1-24(18-19-7-3-2-4-8-19)12-11-21(25-13-15-26-16-14-25)23-17-20-9-5-6-10-22(20)27-23/h2-10,17,21H,11-16,18H2,1H3
InChIKeyPIBFRRUEZPEANJ-UHFFFAOYSA-N
XLogP4.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-morpholin-4-ylpropan-1-amine (CID 54767745) is 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-morpholin-4-ylpropan-1-amine is CN(CCC(c1cc2ccccc2s1)N1CCOCC1)Cc1ccccc1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is PIBFRRUEZPEANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2OS/c1-24(18-19-7-3-2-4-8-19)12-11-21(25-13-15-26-16-14-25)23-17-20-9-5-6-10-22(20)27-23/h2-10,17,21H,11-16,18H2,1H3.
What are the key properties of 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-morpholin-4-ylpropan-1-amine?
3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 380.56 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-benzyl-N-methyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 54767745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).