[4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine

C15H18N2O3S — CID 61175958

IUPAC[4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(Oc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C15H18N2O3S/c1-10-8-11(2)17-15(14(10)9-16)20-12-4-6-13(7-5-12)21(3,18)19/h4-8H,9,16H2,1-3H3
InChIKeyKMLCKNQVVSQEEQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.35
Rot. Bonds4

About [4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine

[4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine (PubChem CID 61175958) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is [4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
PubChem CID61175958
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name[4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(Oc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C15H18N2O3S/c1-10-8-11(2)17-15(14(10)9-16)20-12-4-6-13(7-5-12)21(3,18)19/h4-8H,9,16H2,1-3H3
InChIKeyKMLCKNQVVSQEEQ-UHFFFAOYSA-N
XLogP2.35
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175556
[2-(3-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175170
[2-(2-bromo-4-methoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 104706382
3-(chloromethyl)-2-(4-methoxyphenoxy)-4,6-dimethylpyridine
CID 61270107
[4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 43806811
[2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
CID 43806809
[2-(2-fluoro-5-methylphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 64853800
[2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 114879942
[2-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]oxy]phenyl]methanol
CID 63653421
[2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175759
[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61256704
[2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 79517826

Frequently Asked Questions

What is the IUPAC name of [4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine (CID 61175958) is [4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine is Cc1cc(C)c(CN)c(Oc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of [4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine?
The InChIKey is KMLCKNQVVSQEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-8-11(2)17-15(14(10)9-16)20-12-4-6-13(7-5-12)21(3,18)19/h4-8H,9,16H2,1-3H3.
What are the key properties of [4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine?
[4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine has a molecular weight of 306.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 61175958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).