N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine

C12H20N2OS — CID 2997075

IUPACN-[(5-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCc1ccc(CNCCN2CCOCC2)s1
InChIInChI=1S/C12H20N2OS/c1-11-2-3-12(16-11)10-13-4-5-14-6-8-15-9-7-14/h2-3,13H,4-10H2,1H3
InChIKeyQLPXWCTWAPSXTI-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.48
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine

N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 2997075) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID2997075
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCc1ccc(CNCCN2CCOCC2)s1
InChIInChI=1S/C12H20N2OS/c1-11-2-3-12(16-11)10-13-4-5-14-6-8-15-9-7-14/h2-3,13H,4-10H2,1H3
InChIKeyQLPXWCTWAPSXTI-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine (CID 2997075) is N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine is Cc1ccc(CNCCN2CCOCC2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is QLPXWCTWAPSXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-11-2-3-12(16-11)10-13-4-5-14-6-8-15-9-7-14/h2-3,13H,4-10H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine?
N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 240.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 2997075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).