4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline

C15H18N2OS — CID 79518909

IUPAC4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline
SMILESCCOc1ccc(N)c(SCc2cccc(C)n2)c1
InChIInChI=1S/C15H18N2OS/c1-3-18-13-7-8-14(16)15(9-13)19-10-12-6-4-5-11(2)17-12/h4-9H,3,10,16H2,1-2H3
InChIKeyBTPXPIISEBRVJL-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.66
Rot. Bonds5

About 4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline

4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline (PubChem CID 79518909) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline.

Molecular Properties

Compound Name4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline
PubChem CID79518909
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline
SMILESCCOc1ccc(N)c(SCc2cccc(C)n2)c1
InChIInChI=1S/C15H18N2OS/c1-3-18-13-7-8-14(16)15(9-13)19-10-12-6-4-5-11(2)17-12/h4-9H,3,10,16H2,1-2H3
InChIKeyBTPXPIISEBRVJL-UHFFFAOYSA-N
XLogP3.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 79527451
2-[(3,4-dimethylphenyl)methylsulfanyl]-4-ethoxyaniline
CID 79526573
4-ethoxy-2-[(2-methoxyphenyl)methylsulfanyl]aniline
CID 79518905
4-ethoxy-2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)aniline
CID 79527308
2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline
CID 79267749
4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 79515830
4-ethoxy-2-(3-methylbut-2-enylsulfanyl)aniline
CID 79526787
2-[(6-methyl-2-pyridinyl)methylsulfanyl]pyrimidine-4,6-diamine
CID 78994270
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-4-ethoxyaniline
CID 79512737
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylsulfanyl]-4-ethoxyaniline
CID 79534264
2-[(5-bromothiophen-3-yl)methylsulfanyl]-4-ethoxyaniline
CID 79526574
6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909719

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline?
The IUPAC name of 4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline (CID 79518909) is 4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline.
What is the SMILES notation for 4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline?
The canonical SMILES for 4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline is CCOc1ccc(N)c(SCc2cccc(C)n2)c1.
What is the InChIKey of 4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline?
The InChIKey is BTPXPIISEBRVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-18-13-7-8-14(16)15(9-13)19-10-12-6-4-5-11(2)17-12/h4-9H,3,10,16H2,1-2H3.
What are the key properties of 4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline?
4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline has a molecular weight of 274.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-[(6-methyl-2-pyridinyl)methylsulfanyl]aniline is sourced from PubChem (CID 79518909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).