2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline

C16H19NOS — CID 79213571

IUPAC2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline
SMILESCOc1ccc(C)cc1NCCSc1ccccc1
InChIInChI=1S/C16H19NOS/c1-13-8-9-16(18-2)15(12-13)17-10-11-19-14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3
InChIKeySGUKNGKITRCPPY-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.21
Rot. Bonds6

About 2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline

2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline (PubChem CID 79213571) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline
PubChem CID79213571
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline
SMILESCOc1ccc(C)cc1NCCSc1ccccc1
InChIInChI=1S/C16H19NOS/c1-13-8-9-16(18-2)15(12-13)17-10-11-19-14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3
InChIKeySGUKNGKITRCPPY-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(2-phenylsulfanylethyl)aniline
CID 79213147
N-(2-fluoroethyl)-2-methoxy-5-methylaniline
CID 80699786
2-methoxy-5-methyl-N-[4-(4-methylphenoxy)butyl]aniline
CID 82096579
2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline
CID 103409333
2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82096578
2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 55194770
N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 28771995
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylethanamine
CID 15326859
2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine
CID 63535075
1-(2,5-dimethoxyphenyl)-3-(2-phenylsulfanylethyl)urea
CID 47032218
4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine
CID 115354984
1-methyl-3-(2-phenylsulfanylethylsulfanyl)benzene
CID 79327094

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline?
The IUPAC name of 2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline (CID 79213571) is 2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline.
What is the SMILES notation for 2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline?
The canonical SMILES for 2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline is COc1ccc(C)cc1NCCSc1ccccc1.
What is the InChIKey of 2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline?
The InChIKey is SGUKNGKITRCPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-13-8-9-16(18-2)15(12-13)17-10-11-19-14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline?
2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline has a molecular weight of 273.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline is sourced from PubChem (CID 79213571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).