N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine

C14H16FNOS — CID 60663627

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine
SMILESCSCCNCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H16FNOS/c1-18-9-8-16-10-13-6-7-14(17-13)11-2-4-12(15)5-3-11/h2-7,16H,8-10H2,1H3
InChIKeyMHSPYCWXERDJDX-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.54
Rot. Bonds6

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine (PubChem CID 60663627) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine
PubChem CID60663627
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine
SMILESCSCCNCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H16FNOS/c1-18-9-8-16-10-13-6-7-14(17-13)11-2-4-12(15)5-3-11/h2-7,16H,8-10H2,1H3
InChIKeyMHSPYCWXERDJDX-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine
CID 4723512
(E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine
CID 115629192
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17331982
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine
CID 103701717
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylbut-2-en-1-amine
CID 106180699
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723536
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 4723780
3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-2-methylpropanenitrile
CID 62648146
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine
CID 106328262
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830417
1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 61034800
1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63001539

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine (CID 60663627) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine is CSCCNCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine?
The InChIKey is MHSPYCWXERDJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-18-9-8-16-10-13-6-7-14(17-13)11-2-4-12(15)5-3-11/h2-7,16H,8-10H2,1H3.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine has a molecular weight of 265.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine is sourced from PubChem (CID 60663627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).