N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine

C19H25NS — CID 79212673

IUPACN-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(SC)cc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H25NS/c1-6-20-19(16-7-9-17(21-5)10-8-16)18-14(3)11-13(2)12-15(18)4/h7-12,19-20H,6H2,1-5H3
InChIKeyLFJQTTODHZIXAX-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.03
Rot. Bonds5

About N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine

N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 79212673) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID79212673
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(SC)cc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H25NS/c1-6-20-19(16-7-9-17(21-5)10-8-16)18-14(3)11-13(2)12-15(18)4/h7-12,19-20H,6H2,1-5H3
InChIKeyLFJQTTODHZIXAX-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine 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-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881289
N-[(4-bromo-2,5-dimethylphenyl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79212882
N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680359
N-[(3-bromo-4-fluorophenyl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79747602
N-[(2-chloro-4,5-difluorophenyl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 107476445
N-[(5-bromo-2-methylthiophen-3-yl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79214557
N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 63508460
N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 115855604
N-[(2-chloro-4-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106861014
N-[(2-fluoro-4,6-dimethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 106881342
N-[1,3-dihydro-2-benzofuran-5-yl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79212876
N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491174

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine (CID 79212673) is N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine is CCNC(c1ccc(SC)cc1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is LFJQTTODHZIXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-6-20-19(16-7-9-17(21-5)10-8-16)18-14(3)11-13(2)12-15(18)4/h7-12,19-20H,6H2,1-5H3.
What are the key properties of N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 299.48 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 79212673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).