N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine

C15H18FNOS — CID 83175253

IUPACN-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine
SMILESCCNC(CSc1cccc(F)c1)Cc1ccoc1
InChIInChI=1S/C15H18FNOS/c1-2-17-14(8-12-6-7-18-10-12)11-19-15-5-3-4-13(16)9-15/h3-7,9-10,14,17H,2,8,11H2,1H3
InChIKeyCCPJUSWUQXFRDM-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.73
Rot. Bonds7

About N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine

N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine (PubChem CID 83175253) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine
PubChem CID83175253
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC NameN-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine
SMILESCCNC(CSc1cccc(F)c1)Cc1ccoc1
InChIInChI=1S/C15H18FNOS/c1-2-17-14(8-12-6-7-18-10-12)11-19-15-5-3-4-13(16)9-15/h3-7,9-10,14,17H,2,8,11H2,1H3
InChIKeyCCPJUSWUQXFRDM-UHFFFAOYSA-N
XLogP3.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine
CID 83175239
N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine
CID 83175905
1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine
CID 66071258
N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine
CID 82923437
1-(4-fluorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
CID 83176061
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66070640
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049652
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 66070234
N-ethyl-1-(3-fluorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66071674
N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine
CID 66073333
N-ethyl-1-(3-fluorophenyl)sulfanylnonan-2-amine
CID 66071669
N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine
CID 66073336

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine (CID 83175253) is N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine is CCNC(CSc1cccc(F)c1)Cc1ccoc1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine?
The InChIKey is CCPJUSWUQXFRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-2-17-14(8-12-6-7-18-10-12)11-19-15-5-3-4-13(16)9-15/h3-7,9-10,14,17H,2,8,11H2,1H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine?
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine has a molecular weight of 279.38 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine is sourced from PubChem (CID 83175253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).