4-ethylsulfanyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]butan-2-amine

C15H24FNS — CID 113262399

IUPAC4-ethylsulfanyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]butan-2-amine
SMILESCCSCCC(C)NC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C15H24FNS/c1-5-18-9-8-12(3)17-13(4)14-7-6-11(2)15(16)10-14/h6-7,10,12-13,17H,5,8-9H2,1-4H3
InChIKeyUIDRULTXZMCRPK-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.32
Rot. Bonds7

About 4-ethylsulfanyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]butan-2-amine

4-ethylsulfanyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]butan-2-amine (PubChem CID 113262399) has the molecular formula C15H24FNS and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-ethylsulfanyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]butan-2-amine
PubChem CID113262399
Molecular FormulaC15H24FNS
Molecular Weight269.43 g/mol
Exact Mass269.16
IUPAC Name4-ethylsulfanyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]butan-2-amine
SMILESCCSCCC(C)NC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C15H24FNS/c1-5-18-9-8-12(3)17-13(4)14-7-6-11(2)15(16)10-14/h6-7,10,12-13,17H,5,8-9H2,1-4H3
InChIKeyUIDRULTXZMCRPK-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethylsulfanyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]butan-2-amine 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

3-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128201
N-[1-(3,4-difluorophenyl)ethyl]-1-ethylsulfanylpropan-2-amine
CID 115668175
5-[1-(4-ethylsulfanylbutan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115898545
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethylsulfanylbutan-2-amine
CID 115725535
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylsulfanylbutan-2-amine
CID 115725556
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N-[1-(3,4-difluorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 113350434
N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114830222
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83057829
N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-methylbenzamide
CID 113245327
2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107128759
3-[1-(3,4-difluorophenyl)ethylamino]butan-1-ol
CID 79145040

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]butan-2-amine?
The IUPAC name of 4-ethylsulfanyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]butan-2-amine (CID 113262399) is 4-ethylsulfanyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]butan-2-amine.
What is the SMILES notation for 4-ethylsulfanyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]butan-2-amine?
The canonical SMILES for 4-ethylsulfanyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]butan-2-amine is CCSCCC(C)NC(C)c1ccc(C)c(F)c1.
What is the InChIKey of 4-ethylsulfanyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]butan-2-amine?
The InChIKey is UIDRULTXZMCRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNS/c1-5-18-9-8-12(3)17-13(4)14-7-6-11(2)15(16)10-14/h6-7,10,12-13,17H,5,8-9H2,1-4H3.
What are the key properties of 4-ethylsulfanyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]butan-2-amine?
4-ethylsulfanyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]butan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]butan-2-amine is sourced from PubChem (CID 113262399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).