1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine

C15H24N2S — CID 106444784

IUPAC1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
SMILESCNC(c1cc(C)cc(C)c1)C1CSCCN1C
InChIInChI=1S/C15H24N2S/c1-11-7-12(2)9-13(8-11)15(16-3)14-10-18-6-5-17(14)4/h7-9,14-16H,5-6,10H2,1-4H3
InChIKeyKDDUQNQIKVZMKI-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.61
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine

1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine (PubChem CID 106444784) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
PubChem CID106444784
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
SMILESCNC(c1cc(C)cc(C)c1)C1CSCCN1C
InChIInChI=1S/C15H24N2S/c1-11-7-12(2)9-13(8-11)15(16-3)14-10-18-6-5-17(14)4/h7-9,14-16H,5-6,10H2,1-4H3
InChIKeyKDDUQNQIKVZMKI-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106445193
1-(furan-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444731
N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445479
[(5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methyl]hydrazine
CID 106446255
N-methyl-1-(2-methylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444780
1-(5-chlorothiophen-2-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444894
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444901
N-methyl-1-(4-methylthiomorpholin-3-yl)-1-naphthalen-1-ylmethanamine
CID 106444807
1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 106444379
[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methyl]hydrazine
CID 106682865
(3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595528
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444824

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine (CID 106444784) is 1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine is CNC(c1cc(C)cc(C)c1)C1CSCCN1C.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
The InChIKey is KDDUQNQIKVZMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-11-7-12(2)9-13(8-11)15(16-3)14-10-18-6-5-17(14)4/h7-9,14-16H,5-6,10H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine?
1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine has a molecular weight of 264.44 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine is sourced from PubChem (CID 106444784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).