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

C14H16N2OS — CID 79260240

IUPACN-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
SMILESCNc1ccnc(COc2ccc(SC)cc2)c1
InChIInChI=1S/C14H16N2OS/c1-15-11-7-8-16-12(9-11)10-17-13-3-5-14(18-2)6-4-13/h3-9H,10H2,1-2H3,(H,15,16)
InChIKeyNWWJIAFKCDYGLQ-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.42
Rot. Bonds5

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

N-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine (PubChem CID 79260240) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
PubChem CID79260240
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
SMILESCNc1ccnc(COc2ccc(SC)cc2)c1
InChIInChI=1S/C14H16N2OS/c1-15-11-7-8-16-12(9-11)10-17-13-3-5-14(18-2)6-4-13/h3-9H,10H2,1-2H3,(H,15,16)
InChIKeyNWWJIAFKCDYGLQ-UHFFFAOYSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
CID 79260149
2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260330
2-[(4-iodophenoxy)methyl]-N-methylpyridin-4-amine
CID 79251513
2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-amine
CID 107668074
N-methyl-2-(propoxymethyl)pyridin-4-amine
CID 79250658
2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine
CID 79259130
N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine
CID 79251088
2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine
CID 79250827
[2-[(4-iodophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260216
2-[(4-tert-butyl-2-methylphenoxy)methyl]-N-methylpyridin-4-amine
CID 79244187
[4-[[4-(ethylamino)-2-pyridinyl]methoxy]phenyl]methanol
CID 79260144
4-[[4-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]benzamide
CID 168853496

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine?
The IUPAC name of N-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine (CID 79260240) is N-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine.
What is the SMILES notation for N-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine?
The canonical SMILES for N-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine is CNc1ccnc(COc2ccc(SC)cc2)c1.
What is the InChIKey of N-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine?
The InChIKey is NWWJIAFKCDYGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-15-11-7-8-16-12(9-11)10-17-13-3-5-14(18-2)6-4-13/h3-9H,10H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine?
N-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine has a molecular weight of 260.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine is sourced from PubChem (CID 79260240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).