N-[(4-methylsulfanylphenyl)methyl]aniline

C14H15NS — CID 834592

IUPACN-[(4-methylsulfanylphenyl)methyl]aniline
SMILESCSc1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C14H15NS/c1-16-14-9-7-12(8-10-14)11-15-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKeyNAHINYKYEWBCMA-UHFFFAOYSA-N
MW229.35 g/mol
LogP4.02
Rot. Bonds4

About N-[(4-methylsulfanylphenyl)methyl]aniline

N-[(4-methylsulfanylphenyl)methyl]aniline (PubChem CID 834592) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]aniline
PubChem CID834592
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]aniline
SMILESCSc1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C14H15NS/c1-16-14-9-7-12(8-10-14)11-15-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKeyNAHINYKYEWBCMA-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]aniline?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]aniline (CID 834592) is N-[(4-methylsulfanylphenyl)methyl]aniline.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]aniline?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]aniline is CSc1ccc(CNc2ccccc2)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]aniline?
The InChIKey is NAHINYKYEWBCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-16-14-9-7-12(8-10-14)11-15-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3.
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]aniline?
N-[(4-methylsulfanylphenyl)methyl]aniline has a molecular weight of 229.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]aniline is sourced from PubChem (CID 834592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).