4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline

C14H22N2OS — CID 66419959

IUPAC4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline
SMILESCOc1ccc(N(C)CCC2CSCCN2)cc1
InChIInChI=1S/C14H22N2OS/c1-16(9-7-12-11-18-10-8-15-12)13-3-5-14(17-2)6-4-13/h3-6,12,15H,7-11H2,1-2H3
InChIKeyBSDJVABYIXFPNX-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.23
Rot. Bonds5

About 4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline

4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline (PubChem CID 66419959) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline
PubChem CID66419959
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline
SMILESCOc1ccc(N(C)CCC2CSCCN2)cc1
InChIInChI=1S/C14H22N2OS/c1-16(9-7-12-11-18-10-8-15-12)13-3-5-14(17-2)6-4-13/h3-6,12,15H,7-11H2,1-2H3
InChIKeyBSDJVABYIXFPNX-UHFFFAOYSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline?
The IUPAC name of 4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline (CID 66419959) is 4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline.
What is the SMILES notation for 4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline?
The canonical SMILES for 4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline is COc1ccc(N(C)CCC2CSCCN2)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline?
The InChIKey is BSDJVABYIXFPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-16(9-7-12-11-18-10-8-15-12)13-3-5-14(17-2)6-4-13/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline?
4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline has a molecular weight of 266.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(2-thiomorpholin-3-ylethyl)aniline is sourced from PubChem (CID 66419959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).