N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine

C15H25NS — CID 115639050

IUPACN-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine
SMILESCSCCC(C)NC(C)CCc1ccccc1
InChIInChI=1S/C15H25NS/c1-13(16-14(2)11-12-17-3)9-10-15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3
InChIKeyULFQAGXROFGLDT-UHFFFAOYSA-N
MW251.44 g/mol
LogP3.74
Rot. Bonds8

About N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine

N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine (PubChem CID 115639050) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine
PubChem CID115639050
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine
SMILESCSCCC(C)NC(C)CCc1ccccc1
InChIInChI=1S/C15H25NS/c1-13(16-14(2)11-12-17-3)9-10-15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3
InChIKeyULFQAGXROFGLDT-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide
CID 104984814
N-(4-phenylbutan-2-yl)pent-4-yn-2-amine
CID 115664215
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
N-(4-phenylbutan-2-yl)octan-2-amine
CID 43130021
(4-phenylbutan-2-ylamino) thiohypofluorite
CID 138664614
methyl 4-methylsulfanyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoate
CID 3849240
4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
CID 79692143
4-methylsulfanyl-N-(2,2,2-trifluoro-1-phenylethyl)butan-2-amine
CID 113399602
4-phenylbutan-2-ylhydrazine
CID 28622
N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
CID 103922671
N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 81374312

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine?
The IUPAC name of N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine (CID 115639050) is N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine.
What is the SMILES notation for N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine?
The canonical SMILES for N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine is CSCCC(C)NC(C)CCc1ccccc1.
What is the InChIKey of N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine?
The InChIKey is ULFQAGXROFGLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-13(16-14(2)11-12-17-3)9-10-15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3.
What are the key properties of N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine?
N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine has a molecular weight of 251.44 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutan-2-yl)-4-phenylbutan-2-amine is sourced from PubChem (CID 115639050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).