1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine

C16H26N2S — CID 106444379

IUPAC1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CC(N)C2CSCCN2C)c(C)c1
InChIInChI=1S/C16H26N2S/c1-11-7-12(2)14(13(3)8-11)9-15(17)16-10-19-6-5-18(16)4/h7-8,15-16H,5-6,9-10,17H2,1-4H3
InChIKeyKIJPFAOXYWITPT-UHFFFAOYSA-N
MW278.46 g/mol
LogP2.53
Rot. Bonds3

About 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine

1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 106444379) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID106444379
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CC(N)C2CSCCN2C)c(C)c1
InChIInChI=1S/C16H26N2S/c1-11-7-12(2)14(13(3)8-11)9-15(17)16-10-19-6-5-18(16)4/h7-8,15-16H,5-6,9-10,17H2,1-4H3
InChIKeyKIJPFAOXYWITPT-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106681022
(2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444597
2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444534
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444601
2-(1-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 103595877
2-cyclopropyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 103595894
(1R)-1-(4-methylthiomorpholin-3-yl)butan-1-amine
CID 106446169
1-(4-methylthiomorpholin-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 106444508
2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 107309197
1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 103595309
[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methyl]hydrazine
CID 106682865
1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-amine
CID 103595850

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 106444379) is 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(CC(N)C2CSCCN2C)c(C)c1.
What is the InChIKey of 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is KIJPFAOXYWITPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-11-7-12(2)14(13(3)8-11)9-15(17)16-10-19-6-5-18(16)4/h7-8,15-16H,5-6,9-10,17H2,1-4H3.
What are the key properties of 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 278.46 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 106444379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).