N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline

C16H19NOS — CID 103463701

IUPACN-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline
SMILESCOCC(Nc1ccccc1SC)c1ccccc1
InChIInChI=1S/C16H19NOS/c1-18-12-15(13-8-4-3-5-9-13)17-14-10-6-7-11-16(14)19-2/h3-11,15,17H,12H2,1-2H3
InChIKeyCRQJNHMSMZDYRP-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.21
Rot. Bonds6

About N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline

N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline (PubChem CID 103463701) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline
PubChem CID103463701
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline
SMILESCOCC(Nc1ccccc1SC)c1ccccc1
InChIInChI=1S/C16H19NOS/c1-18-12-15(13-8-4-3-5-9-13)17-14-10-6-7-11-16(14)19-2/h3-11,15,17H,12H2,1-2H3
InChIKeyCRQJNHMSMZDYRP-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

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Related Compounds

2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline
CID 103463340
3-(2-methylsulfanylanilino)-3-phenylpropanenitrile
CID 107644742
2-[(2-methoxy-1-phenylethyl)amino]benzoic acid
CID 103463586
2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline
CID 103463971
2-methylsulfanyl-N-(1-phenylhexyl)aniline
CID 43780995
2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline
CID 103584618
4-bromo-2,5-difluoro-N-(2-methoxy-1-phenylethyl)aniline
CID 107609296
N-(2-methoxy-1-phenylethyl)quinolin-5-amine
CID 103463342
N-(2-methoxy-1-phenylethyl)-4-methylpyridin-3-amine
CID 103464259
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156
2-bromo-5-chloro-N-(2-methoxy-1-phenylethyl)aniline
CID 103464437
N-[diethoxyphosphoryl(phenyl)methyl]-2-methylsulfanylaniline
CID 102431976

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline?
The IUPAC name of N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline (CID 103463701) is N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline.
What is the SMILES notation for N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline?
The canonical SMILES for N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline is COCC(Nc1ccccc1SC)c1ccccc1.
What is the InChIKey of N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline?
The InChIKey is CRQJNHMSMZDYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-18-12-15(13-8-4-3-5-9-13)17-14-10-6-7-11-16(14)19-2/h3-11,15,17H,12H2,1-2H3.
What are the key properties of N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline?
N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline 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 N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline is sourced from PubChem (CID 103463701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).