4-phenyl-N-(phenylsulfanylmethyl)aniline

C19H17NS — CID 174507721

IUPAC4-phenyl-N-(phenylsulfanylmethyl)aniline
SMILESc1ccc(SCNc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C19H17NS/c1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-21-19-9-5-2-6-10-19/h1-14,20H,15H2
InChIKeyZYAVJQVETLKQNK-UHFFFAOYSA-N
MW291.42 g/mol
LogP5.52
Rot. Bonds5

About 4-phenyl-N-(phenylsulfanylmethyl)aniline

4-phenyl-N-(phenylsulfanylmethyl)aniline (PubChem CID 174507721) has the molecular formula C19H17NS and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-phenyl-N-(phenylsulfanylmethyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-(phenylsulfanylmethyl)aniline
PubChem CID174507721
Molecular FormulaC19H17NS
Molecular Weight291.42 g/mol
Exact Mass291.11
IUPAC Name4-phenyl-N-(phenylsulfanylmethyl)aniline
SMILESc1ccc(SCNc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C19H17NS/c1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-21-19-9-5-2-6-10-19/h1-14,20H,15H2
InChIKeyZYAVJQVETLKQNK-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.42
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(4-phenylphenyl)ethane-1,2-diamine
CID 15319687
1-(chloromethylsulfanyl)-4-phenylbenzene
CID 117059590
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
N-(2-bromoprop-2-enyl)-4-phenylaniline
CID 62253872
N-(2-phenylsulfanylethyl)-4-propan-2-ylaniline
CID 79211777
N-(pyridin-2-ylsulfanylmethyl)aniline
CID 154453727
4-phenyl-N-(4,4,4-trifluorobutyl)aniline
CID 115513665
N-(2-aminoethyl)-N'-(4-phenylphenyl)propane-1,3-diamine
CID 15319690
1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol
CID 168636829
N-(isothiocyanatomethyl)-4-phenylaniline
CID 90796551
4-[1-hydroxy-2-(4-phenylanilino)ethyl]phenol
CID 11551259

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(phenylsulfanylmethyl)aniline?
The IUPAC name of 4-phenyl-N-(phenylsulfanylmethyl)aniline (CID 174507721) is 4-phenyl-N-(phenylsulfanylmethyl)aniline.
What is the SMILES notation for 4-phenyl-N-(phenylsulfanylmethyl)aniline?
The canonical SMILES for 4-phenyl-N-(phenylsulfanylmethyl)aniline is c1ccc(SCNc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(phenylsulfanylmethyl)aniline?
The InChIKey is ZYAVJQVETLKQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NS/c1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-21-19-9-5-2-6-10-19/h1-14,20H,15H2.
What are the key properties of 4-phenyl-N-(phenylsulfanylmethyl)aniline?
4-phenyl-N-(phenylsulfanylmethyl)aniline has a molecular weight of 291.42 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(phenylsulfanylmethyl)aniline is sourced from PubChem (CID 174507721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).