N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine

C14H21F2NO2S — CID 103992949

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine
SMILESFC(F)SCc1ccc(CNCCC2CCCCO2)o1
InChIInChI=1S/C14H21F2NO2S/c15-14(16)20-10-13-5-4-12(19-13)9-17-7-6-11-3-1-2-8-18-11/h4-5,11,14,17H,1-3,6-10H2
InChIKeyWHGWBKALBJFWKG-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.78
Rot. Bonds8

About N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine (PubChem CID 103992949) has the molecular formula C14H21F2NO2S and a molecular weight of 305.39 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine
PubChem CID103992949
Molecular FormulaC14H21F2NO2S
Molecular Weight305.39 g/mol
Exact Mass305.13
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine
SMILESFC(F)SCc1ccc(CNCCC2CCCCO2)o1
InChIInChI=1S/C14H21F2NO2S/c15-14(16)20-10-13-5-4-12(19-13)9-17-7-6-11-3-1-2-8-18-11/h4-5,11,14,17H,1-3,6-10H2
InChIKeyWHGWBKALBJFWKG-UHFFFAOYSA-N
XLogP3.78
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51675631
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 71685865
N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992898
5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 63317293
N-[(4-ethylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362830
2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline
CID 55159271
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992756
N-[(3-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992828
N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362826
N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62429059
N-[(2-chloro-4-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362834
methyl 4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butanoate
CID 54920813

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine (CID 103992949) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine is FC(F)SCc1ccc(CNCCC2CCCCO2)o1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine?
The InChIKey is WHGWBKALBJFWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2S/c15-14(16)20-10-13-5-4-12(19-13)9-17-7-6-11-3-1-2-8-18-11/h4-5,11,14,17H,1-3,6-10H2.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine has a molecular weight of 305.39 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine is sourced from PubChem (CID 103992949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).