2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine

C19H25NS — CID 64614449

IUPAC2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine
SMILESCCC(C)SCC(NC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H25NS/c1-4-15(2)21-14-19(20-3)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,15,19-20H,4,14H2,1-3H3
InChIKeyGLYOJPLXSZYXSB-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.15
Rot. Bonds7

About 2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine

2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine (PubChem CID 64614449) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine
PubChem CID64614449
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine
SMILESCCC(C)SCC(NC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H25NS/c1-4-15(2)21-14-19(20-3)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,15,19-20H,4,14H2,1-3H3
InChIKeyGLYOJPLXSZYXSB-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)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

2-butan-2-ylsulfanyl-N-methyl-1-phenylethanamine
CID 64613225
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64613834
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64613215
2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine
CID 64613420
2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613214
2-butan-2-ylsulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 65136489
3-(methylamino)-3-(4-phenylphenyl)propan-1-ol
CID 64813021
2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 65136492
2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol
CID 113374023
4-(methylamino)-4-(4-phenylphenyl)butan-1-ol
CID 116952947
N-methyl-1-(3-phenylphenyl)propan-1-amine
CID 54912079
N-methyl-1-phenyl-2-propylsulfanylethanamine
CID 64613859

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine (CID 64614449) is 2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine is CCC(C)SCC(NC)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine?
The InChIKey is GLYOJPLXSZYXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-4-15(2)21-14-19(20-3)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-13,15,19-20H,4,14H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine?
2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine has a molecular weight of 299.48 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine is sourced from PubChem (CID 64614449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).