2-(N-methyl-4-phenylanilino)ethanethiol

C15H17NS — CID 115223791

IUPAC2-(N-methyl-4-phenylanilino)ethanethiol
SMILESCN(CCS)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H17NS/c1-16(11-12-17)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,17H,11-12H2,1H3
InChIKeyPSIDYGWXJKXDGA-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.72
Rot. Bonds4

About 2-(N-methyl-4-phenylanilino)ethanethiol

2-(N-methyl-4-phenylanilino)ethanethiol (PubChem CID 115223791) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-(N-methyl-4-phenylanilino)ethanethiol.

Molecular Properties

Compound Name2-(N-methyl-4-phenylanilino)ethanethiol
PubChem CID115223791
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name2-(N-methyl-4-phenylanilino)ethanethiol
SMILESCN(CCS)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H17NS/c1-16(11-12-17)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,17H,11-12H2,1H3
InChIKeyPSIDYGWXJKXDGA-UHFFFAOYSA-N
XLogP3.72
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-4-phenylaniline
CID 23459365
2-(N-methyl-4-phenylanilino)acetonitrile
CID 115130840
N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
CID 54260690
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
2-[N-methyl-4-(2-methylpropyl)anilino]ethanethiol
CID 115223767
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]propane-1-thiol
CID 164745626
1-N,2-N,2-trimethyl-1-N-(4-phenylphenyl)propane-1,2-diamine
CID 115222121
N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline
CID 115256508
N,N,N'-trimethyl-N'-[2-(N-methylanilino)ethyl]ethane-1,2-diamine
CID 70599954
N-iodo-4-phenyl-N-(4-phenylphenyl)aniline
CID 138489036

Frequently Asked Questions

What is the IUPAC name of 2-(N-methyl-4-phenylanilino)ethanethiol?
The IUPAC name of 2-(N-methyl-4-phenylanilino)ethanethiol (CID 115223791) is 2-(N-methyl-4-phenylanilino)ethanethiol.
What is the SMILES notation for 2-(N-methyl-4-phenylanilino)ethanethiol?
The canonical SMILES for 2-(N-methyl-4-phenylanilino)ethanethiol is CN(CCS)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(N-methyl-4-phenylanilino)ethanethiol?
The InChIKey is PSIDYGWXJKXDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-16(11-12-17)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,17H,11-12H2,1H3.
What are the key properties of 2-(N-methyl-4-phenylanilino)ethanethiol?
2-(N-methyl-4-phenylanilino)ethanethiol has a molecular weight of 243.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methyl-4-phenylanilino)ethanethiol is sourced from PubChem (CID 115223791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).