[2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine

C14H22N2S — CID 107105724

IUPAC[2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1N1CC(C)SC(C)C1
InChIInChI=1S/C14H22N2S/c1-10-5-4-6-13(7-15)14(10)16-8-11(2)17-12(3)9-16/h4-6,11-12H,7-9,15H2,1-3H3
InChIKeyQNMNEGHXKKKYEL-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.78
Rot. Bonds2

About [2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine

[2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine (PubChem CID 107105724) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is [2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine
PubChem CID107105724
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name[2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1N1CC(C)SC(C)C1
InChIInChI=1S/C14H22N2S/c1-10-5-4-6-13(7-15)14(10)16-8-11(2)17-12(3)9-16/h4-6,11-12H,7-9,15H2,1-3H3
InChIKeyQNMNEGHXKKKYEL-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine
CID 107105834
1-(2-ethyl-6-methylphenyl)azetidin-3-amine
CID 117002804
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methylphenyl]methanamine
CID 107105553
[2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine
CID 107105667
[3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine
CID 107105459
[3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 107105483
1-[2-(aminomethyl)-6-methylphenyl]-1,4-diazepan-5-one
CID 107105692
2-[2-(aminomethyl)-6-methylphenyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 107105775
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide
CID 107105854
[3-methyl-2-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 82504473
(1,3-dimethyl-2,3-dihydroindol-7-yl)methanamine
CID 117204110
[2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine
CID 107105560

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine?
The IUPAC name of [2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine (CID 107105724) is [2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine.
What is the SMILES notation for [2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine?
The canonical SMILES for [2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine is Cc1cccc(CN)c1N1CC(C)SC(C)C1.
What is the InChIKey of [2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine?
The InChIKey is QNMNEGHXKKKYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-5-4-6-13(7-15)14(10)16-8-11(2)17-12(3)9-16/h4-6,11-12H,7-9,15H2,1-3H3.
What are the key properties of [2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine?
[2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine has a molecular weight of 250.41 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine is sourced from PubChem (CID 107105724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).