4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol

C15H24N2OS — CID 104582416

IUPAC4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol
SMILESCc1ccc(O)c(C(C)NCCN2CCSCC2)c1
InChIInChI=1S/C15H24N2OS/c1-12-3-4-15(18)14(11-12)13(2)16-5-6-17-7-9-19-10-8-17/h3-4,11,13,16,18H,5-10H2,1-2H3
InChIKeyZKOJGQVFYWJKMJ-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.40
Rot. Bonds5

About 4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol

4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol (PubChem CID 104582416) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol
PubChem CID104582416
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol
SMILESCc1ccc(O)c(C(C)NCCN2CCSCC2)c1
InChIInChI=1S/C15H24N2OS/c1-12-3-4-15(18)14(11-12)13(2)16-5-6-17-7-9-19-10-8-17/h3-4,11,13,16,18H,5-10H2,1-2H3
InChIKeyZKOJGQVFYWJKMJ-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,4-diol
CID 106324963
4-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
CID 106324919
N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 103783303
4-methyl-2-[1-(thian-4-ylmethylamino)ethyl]phenol
CID 104582454
5-methyl-2-[1-(2-morpholin-4-ylethylamino)ethyl]phenol
CID 43201456
N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61240183
5-[1-(2-thiomorpholin-4-ylethylamino)ethyl]benzene-1,3-diol
CID 106324981
2-[1-(2-morpholin-4-ylethylamino)ethyl]benzene-1,4-diol
CID 43195502
2-[1-(2-thiomorpholin-4-ylethylamino)propyl]phenol
CID 103914533
1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60695784
4-methoxy-2-[1-(2-morpholin-4-ylethylamino)ethyl]phenol
CID 43195506
2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol
CID 43590909

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol (CID 104582416) is 4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol is Cc1ccc(O)c(C(C)NCCN2CCSCC2)c1.
What is the InChIKey of 4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol?
The InChIKey is ZKOJGQVFYWJKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-12-3-4-15(18)14(11-12)13(2)16-5-6-17-7-9-19-10-8-17/h3-4,11,13,16,18H,5-10H2,1-2H3.
What are the key properties of 4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol?
4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol has a molecular weight of 280.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol is sourced from PubChem (CID 104582416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).