(2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine

C15H24N2OS — CID 106681022

IUPAC(2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
SMILESCOc1cc(C)cc(C)c1C(N)C1CSCCN1C
InChIInChI=1S/C15H24N2OS/c1-10-7-11(2)14(13(8-10)18-4)15(16)12-9-19-6-5-17(12)3/h7-8,12,15H,5-6,9,16H2,1-4H3
InChIKeyVABPXEDXEMCISP-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.36
Rot. Bonds3

About (2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine

(2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine (PubChem CID 106681022) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is (2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine.

Molecular Properties

Compound Name(2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
PubChem CID106681022
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name(2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
SMILESCOc1cc(C)cc(C)c1C(N)C1CSCCN1C
InChIInChI=1S/C15H24N2OS/c1-10-7-11(2)14(13(8-10)18-4)15(16)12-9-19-6-5-17(12)3/h7-8,12,15H,5-6,9,16H2,1-4H3
InChIKeyVABPXEDXEMCISP-UHFFFAOYSA-N
XLogP2.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methyl]hydrazine
CID 106682865
1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 106444379
(2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444597
cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 82493927
cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680816
(4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine
CID 103595870
(4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444518
(3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444388
(4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595654
1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444784
1-(2-methoxy-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 106680717
(4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444378

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine?
The IUPAC name of (2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine (CID 106681022) is (2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine.
What is the SMILES notation for (2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine?
The canonical SMILES for (2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine is COc1cc(C)cc(C)c1C(N)C1CSCCN1C.
What is the InChIKey of (2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine?
The InChIKey is VABPXEDXEMCISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10-7-11(2)14(13(8-10)18-4)15(16)12-9-19-6-5-17(12)3/h7-8,12,15H,5-6,9,16H2,1-4H3.
What are the key properties of (2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine?
(2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine has a molecular weight of 280.44 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine is sourced from PubChem (CID 106681022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).