N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine

C14H20FNOS — CID 66070583

IUPACN-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CSc1ccc(F)cc1)C1CCOC1
InChIInChI=1S/C14H20FNOS/c1-2-16-14(11-7-8-17-9-11)10-18-13-5-3-12(15)4-6-13/h3-6,11,14,16H,2,7-10H2,1H3
InChIKeySLMMIPVCPYMODC-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.93
Rot. Bonds6

About N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine

N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine (PubChem CID 66070583) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
PubChem CID66070583
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC NameN-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CSc1ccc(F)cc1)C1CCOC1
InChIInChI=1S/C14H20FNOS/c1-2-16-14(11-7-8-17-9-11)10-18-13-5-3-12(15)4-6-13/h3-6,11,14,16H,2,7-10H2,1H3
InChIKeySLMMIPVCPYMODC-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)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-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
CID 65143618
2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104755861
N-ethyl-1-(4-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66066304
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(oxan-3-yl)ethanamine
CID 107136499
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66066110
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 65329971
N-ethyl-2-(2-nitrophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755044
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755241
N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine
CID 104756053
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192
N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755175
2-(2,3-difluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 65330197

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine (CID 66070583) is N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine is CCNC(CSc1ccc(F)cc1)C1CCOC1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is SLMMIPVCPYMODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-2-16-14(11-7-8-17-9-11)10-18-13-5-3-12(15)4-6-13/h3-6,11,14,16H,2,7-10H2,1H3.
What are the key properties of N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine?
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 269.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 66070583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).