N-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine

C15H18N2O3S — CID 79232071

IUPACN-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine
SMILESCCNc1cccc(COc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C15H18N2O3S/c1-3-16-15-6-4-5-12(17-15)11-20-13-7-9-14(10-8-13)21(2,18)19/h4-10H,3,11H2,1-2H3,(H,16,17)
InChIKeyQNKPXYFQTWXMGR-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.50
Rot. Bonds6

About N-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine

N-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine (PubChem CID 79232071) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine
PubChem CID79232071
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine
SMILESCCNc1cccc(COc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C15H18N2O3S/c1-3-16-15-6-4-5-12(17-15)11-20-13-7-9-14(10-8-13)21(2,18)19/h4-10H,3,11H2,1-2H3,(H,16,17)
InChIKeyQNKPXYFQTWXMGR-UHFFFAOYSA-N
XLogP2.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-tert-butylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 79231253
N-ethyl-6-[(4-propoxyphenoxy)methyl]pyridin-2-amine
CID 79232344
N-ethyl-6-(naphthalen-2-yloxymethyl)pyridin-2-amine
CID 79231800
6-[(3,4-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79239120
2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine
CID 80762611
N-ethyl-6-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 79239613
6-[(2-chloro-4-nitrophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79233930
6-[(4-chloro-2-nitrophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79231263
5-[(4-methylsulfonylphenoxy)methyl]pyrazin-2-amine
CID 103058824
6-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-2-amine
CID 107668066
N-methyl-5-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine
CID 62193963
N-ethyl-6-[(4-methoxy-N-methylanilino)methyl]pyridin-2-amine
CID 79243024

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine (CID 79232071) is N-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine is CCNc1cccc(COc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of N-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine?
The InChIKey is QNKPXYFQTWXMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-16-15-6-4-5-12(17-15)11-20-13-7-9-14(10-8-13)21(2,18)19/h4-10H,3,11H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine?
N-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine has a molecular weight of 306.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(4-methylsulfonylphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 79232071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).