2-[4-(1-benzothiophen-2-ylmethyl)morpholin-2-yl]ethanamine

C15H20N2OS — CID 74230033

IUPAC2-[4-(1-benzothiophen-2-ylmethyl)morpholin-2-yl]ethanamine
SMILESNCCC1CN(Cc2cc3ccccc3s2)CCO1
InChIInChI=1S/C15H20N2OS/c16-6-5-13-10-17(7-8-18-13)11-14-9-12-3-1-2-4-15(12)19-14/h1-4,9,13H,5-8,10-11,16H2
InChIKeyBXSFLSTXXLPRGO-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.45
Rot. Bonds4

About 2-[4-(1-benzothiophen-2-ylmethyl)morpholin-2-yl]ethanamine

2-[4-(1-benzothiophen-2-ylmethyl)morpholin-2-yl]ethanamine (PubChem CID 74230033) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[4-(1-benzothiophen-2-ylmethyl)morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-benzothiophen-2-ylmethyl)morpholin-2-yl]ethanamine
PubChem CID74230033
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-[4-(1-benzothiophen-2-ylmethyl)morpholin-2-yl]ethanamine
SMILESNCCC1CN(Cc2cc3ccccc3s2)CCO1
InChIInChI=1S/C15H20N2OS/c16-6-5-13-10-17(7-8-18-13)11-14-9-12-3-1-2-4-15(12)19-14/h1-4,9,13H,5-8,10-11,16H2
InChIKeyBXSFLSTXXLPRGO-UHFFFAOYSA-N
XLogP2.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzothiophen-2-ylmethyl)morpholin-2-yl]ethanamine?
The IUPAC name of 2-[4-(1-benzothiophen-2-ylmethyl)morpholin-2-yl]ethanamine (CID 74230033) is 2-[4-(1-benzothiophen-2-ylmethyl)morpholin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-benzothiophen-2-ylmethyl)morpholin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(1-benzothiophen-2-ylmethyl)morpholin-2-yl]ethanamine is NCCC1CN(Cc2cc3ccccc3s2)CCO1.
What is the InChIKey of 2-[4-(1-benzothiophen-2-ylmethyl)morpholin-2-yl]ethanamine?
The InChIKey is BXSFLSTXXLPRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c16-6-5-13-10-17(7-8-18-13)11-14-9-12-3-1-2-4-15(12)19-14/h1-4,9,13H,5-8,10-11,16H2.
What are the key properties of 2-[4-(1-benzothiophen-2-ylmethyl)morpholin-2-yl]ethanamine?
2-[4-(1-benzothiophen-2-ylmethyl)morpholin-2-yl]ethanamine has a molecular weight of 276.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzothiophen-2-ylmethyl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 74230033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).