N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline

C16H19NS — CID 43192256

IUPACN-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline
SMILESCSc1ccc(NC(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H19NS/c1-12-4-6-14(7-5-12)13(2)17-15-8-10-16(18-3)11-9-15/h4-11,13,17H,1-3H3
InChIKeySWCRMTAEDAYYQF-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.89
Rot. Bonds4

About N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline

N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline (PubChem CID 43192256) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline
PubChem CID43192256
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline
SMILESCSc1ccc(NC(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H19NS/c1-12-4-6-14(7-5-12)13(2)17-15-8-10-16(18-3)11-9-15/h4-11,13,17H,1-3H3
InChIKeySWCRMTAEDAYYQF-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43093665
4-(difluoromethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43103644
2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide
CID 43724125
N-[1-(2,5-dimethylphenyl)ethyl]-4-methylsulfanylaniline
CID 43094148
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylsulfanylaniline
CID 43759158
4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43103988
3-bromo-4-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 104776069
N-[di(propan-2-yloxy)phosphoryl-(4-methylsulfanylphenyl)methyl]-4-methylaniline
CID 21210765
methyl 2-(4-methylanilino)-2-(4-methylsulfanylphenyl)acetate
CID 60991491
N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
CID 43094074
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline (CID 43192256) is N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline is CSc1ccc(NC(C)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline?
The InChIKey is SWCRMTAEDAYYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-12-4-6-14(7-5-12)13(2)17-15-8-10-16(18-3)11-9-15/h4-11,13,17H,1-3H3.
What are the key properties of N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline?
N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline has a molecular weight of 257.40 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline is sourced from PubChem (CID 43192256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).