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

C14H16FNOS — CID 66073333

IUPACN-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine
SMILESCCNC(CSc1cccc(F)c1)c1ccco1
InChIInChI=1S/C14H16FNOS/c1-2-16-13(14-7-4-8-17-14)10-18-12-6-3-5-11(15)9-12/h3-9,13,16H,2,10H2,1H3
InChIKeyCGMRCASGPUKXGN-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.86
Rot. Bonds6

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

N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine (PubChem CID 66073333) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine
PubChem CID66073333
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC NameN-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine
SMILESCCNC(CSc1cccc(F)c1)c1ccco1
InChIInChI=1S/C14H16FNOS/c1-2-16-13(14-7-4-8-17-14)10-18-12-6-3-5-11(15)9-12/h3-9,13,16H,2,10H2,1H3
InChIKeyCGMRCASGPUKXGN-UHFFFAOYSA-N
XLogP3.86
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-N-ethyl-2-(3-fluorophenyl)sulfanylethanamine
CID 66072502
N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 66066591
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617
N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374715
N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine
CID 82923437
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine
CID 83175253
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine
CID 79445793
N-[1-(furan-2-yl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143764
N-ethyl-1-(3-fluorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66071674
N-ethyl-1-(3-fluorophenyl)sulfanylnonan-2-amine
CID 66071669
3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62631964
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylbut-3-en-2-amine
CID 79178412

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine (CID 66073333) is N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine is CCNC(CSc1cccc(F)c1)c1ccco1.
What is the InChIKey of N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine?
The InChIKey is CGMRCASGPUKXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-2-16-13(14-7-4-8-17-14)10-18-12-6-3-5-11(15)9-12/h3-9,13,16H,2,10H2,1H3.
What are the key properties of N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine?
N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine has a molecular weight of 265.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 66073333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).