2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline

C14H15ClN2OS — CID 144784163

IUPAC2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline
SMILESCNc1cccc(SC)c1COc1cc(Cl)ccn1
InChIInChI=1S/C14H15ClN2OS/c1-16-12-4-3-5-13(19-2)11(12)9-18-14-8-10(15)6-7-17-14/h3-8,16H,9H2,1-2H3
InChIKeyTYJGXNJGIHMTFN-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.08
Rot. Bonds5

About 2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline

2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline (PubChem CID 144784163) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline.

Molecular Properties

Compound Name2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline
PubChem CID144784163
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline
SMILESCNc1cccc(SC)c1COc1cc(Cl)ccn1
InChIInChI=1S/C14H15ClN2OS/c1-16-12-4-3-5-13(19-2)11(12)9-18-14-8-10(15)6-7-17-14/h3-8,16H,9H2,1-2H3
InChIKeyTYJGXNJGIHMTFN-UHFFFAOYSA-N
XLogP4.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline
CID 144784676
N-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline
CID 144783967
3-chloro-N-methyl-2-[(6-methyl-2-pyridinyl)oxymethyl]aniline
CID 144783827
5-chloro-N-methyl-2-methylsulfanylaniline
CID 82264896
4-chloro-2-(2-methoxyethoxy)pyridine
CID 71303293
3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline
CID 144784650
4-chloro-2-(4-chloro-2-methylsulfanylphenyl)pyridine
CID 19866649
3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline
CID 144932971
N,3-dimethyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784540
2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline
CID 144739122
2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline
CID 144784328
2-[2-[(4-chloro-2-pyridinyl)oxy]ethylamino]ethanol
CID 167077055

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline?
The IUPAC name of 2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline (CID 144784163) is 2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline.
What is the SMILES notation for 2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline?
The canonical SMILES for 2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline is CNc1cccc(SC)c1COc1cc(Cl)ccn1.
What is the InChIKey of 2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline?
The InChIKey is TYJGXNJGIHMTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-16-12-4-3-5-13(19-2)11(12)9-18-14-8-10(15)6-7-17-14/h3-8,16H,9H2,1-2H3.
What are the key properties of 2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline?
2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline has a molecular weight of 294.81 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline is sourced from PubChem (CID 144784163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).