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

C15H18N2OS — CID 79260149

IUPACN-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
SMILESCCNc1ccnc(COc2ccc(SC)cc2)c1
InChIInChI=1S/C15H18N2OS/c1-3-16-12-8-9-17-13(10-12)11-18-14-4-6-15(19-2)7-5-14/h4-10H,3,11H2,1-2H3,(H,16,17)
InChIKeyLGNUCNJUSXSHGW-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.81
Rot. Bonds6

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

N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine (PubChem CID 79260149) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
PubChem CID79260149
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
SMILESCCNc1ccnc(COc2ccc(SC)cc2)c1
InChIInChI=1S/C15H18N2OS/c1-3-16-12-8-9-17-13(10-12)11-18-14-4-6-15(19-2)7-5-14/h4-10H,3,11H2,1-2H3,(H,16,17)
InChIKeyLGNUCNJUSXSHGW-UHFFFAOYSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260330
N-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
CID 79260240
[4-[[4-(ethylamino)-2-pyridinyl]methoxy]phenyl]methanol
CID 79260144
2-(ethoxymethyl)-N-ethylpyridin-4-amine
CID 79251240
2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 79251583
2-[(5-bromo-3-pyridinyl)oxymethyl]-N-ethylpyridin-4-amine
CID 79259695
2-(phenoxymethyl)-N-propylpyridin-4-amine
CID 79250988
2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251517
N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine
CID 79245220
2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 107101003
2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 116689899
2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine
CID 79251513

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine?
The IUPAC name of N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine (CID 79260149) is N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine.
What is the SMILES notation for N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine?
The canonical SMILES for N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine is CCNc1ccnc(COc2ccc(SC)cc2)c1.
What is the InChIKey of N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine?
The InChIKey is LGNUCNJUSXSHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-16-12-8-9-17-13(10-12)11-18-14-4-6-15(19-2)7-5-14/h4-10H,3,11H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine?
N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine has a molecular weight of 274.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine is sourced from PubChem (CID 79260149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).