N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline

C16H19NOS — CID 55092272

IUPACN-[2-(4-methoxyphenyl)sulfanylpropyl]aniline
SMILESCOc1ccc(SC(C)CNc2ccccc2)cc1
InChIInChI=1S/C16H19NOS/c1-13(12-17-14-6-4-3-5-7-14)19-16-10-8-15(18-2)9-11-16/h3-11,13,17H,12H2,1-2H3
InChIKeyXNQBGEWUGJHEHK-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.29
Rot. Bonds6

About N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline

N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline (PubChem CID 55092272) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)sulfanylpropyl]aniline
PubChem CID55092272
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[2-(4-methoxyphenyl)sulfanylpropyl]aniline
SMILESCOc1ccc(SC(C)CNc2ccccc2)cc1
InChIInChI=1S/C16H19NOS/c1-13(12-17-14-6-4-3-5-7-14)19-16-10-8-15(18-2)9-11-16/h3-11,13,17H,12H2,1-2H3
InChIKeyXNQBGEWUGJHEHK-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-phenylsulfanylpropylamino)benzonitrile
CID 133324626
N-(2-methylsulfanylpropyl)aniline
CID 62582287
N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline
CID 102526815
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
N-[2-(2-methoxyethylsulfanyl)propyl]aniline
CID 62577596
1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
CID 68527948
N-(2-thiophen-2-ylsulfanylpropyl)aniline
CID 62578377
N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline
CID 62580992
N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline
CID 62578541
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 51546952
4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile
CID 64710362
N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine
CID 150101041

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline?
The IUPAC name of N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline (CID 55092272) is N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline.
What is the SMILES notation for N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline?
The canonical SMILES for N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline is COc1ccc(SC(C)CNc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline?
The InChIKey is XNQBGEWUGJHEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-13(12-17-14-6-4-3-5-7-14)19-16-10-8-15(18-2)9-11-16/h3-11,13,17H,12H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline?
N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline has a molecular weight of 273.40 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline is sourced from PubChem (CID 55092272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).