4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine

C15H24FNS — CID 113262395

IUPAC4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine
SMILESCCSCCC(C)NC(C)Cc1cccc(F)c1
InChIInChI=1S/C15H24FNS/c1-4-18-9-8-12(2)17-13(3)10-14-6-5-7-15(16)11-14/h5-7,11-13,17H,4,8-10H2,1-3H3
InChIKeyASCYAGMCJUXZCK-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.88
Rot. Bonds8

About 4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine

4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine (PubChem CID 113262395) has the molecular formula C15H24FNS and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine.

Molecular Properties

Compound Name4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine
PubChem CID113262395
Molecular FormulaC15H24FNS
Molecular Weight269.43 g/mol
Exact Mass269.16
IUPAC Name4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine
SMILESCCSCCC(C)NC(C)Cc1cccc(F)c1
InChIInChI=1S/C15H24FNS/c1-4-18-9-8-12(2)17-13(3)10-14-6-5-7-15(16)11-14/h5-7,11-13,17H,4,8-10H2,1-3H3
InChIKeyASCYAGMCJUXZCK-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.88
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-fluorophenyl)propan-2-yl]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

1-N,1-N-diethyl-2-N-[1-(3-fluorophenyl)propan-2-yl]propane-1,2-diamine
CID 115716941
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
N-[1-(3-fluorophenyl)propan-2-yl]hex-1-yn-3-amine
CID 106227001
1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 104979819
1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 103901403
N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine
CID 115722358
N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine
CID 43694851
2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
CID 115708042
N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 115719668
1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
CID 104979728

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine?
The IUPAC name of 4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine (CID 113262395) is 4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine.
What is the SMILES notation for 4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine?
The canonical SMILES for 4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine is CCSCCC(C)NC(C)Cc1cccc(F)c1.
What is the InChIKey of 4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine?
The InChIKey is ASCYAGMCJUXZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNS/c1-4-18-9-8-12(2)17-13(3)10-14-6-5-7-15(16)11-14/h5-7,11-13,17H,4,8-10H2,1-3H3.
What are the key properties of 4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine?
4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 3.88, 8 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-fluorophenyl)propan-2-yl]butan-2-amine is sourced from PubChem (CID 113262395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).