N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine

C16H16FNO — CID 103701717

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine
SMILESC#CCCCNCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H16FNO/c1-2-3-4-11-18-12-15-9-10-16(19-15)13-5-7-14(17)8-6-13/h1,5-10,18H,3-4,11-12H2
InChIKeyLILVDXSORBSFJW-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.59
Rot. Bonds6

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine (PubChem CID 103701717) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine
PubChem CID103701717
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine
SMILESC#CCCCNCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H16FNO/c1-2-3-4-11-18-12-15-9-10-16(19-15)13-5-7-14(17)8-6-13/h1,5-10,18H,3-4,11-12H2
InChIKeyLILVDXSORBSFJW-UHFFFAOYSA-N
XLogP3.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine
CID 4723512
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]-2-methylsulfanylethanamine
CID 60663627
(E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine
CID 115629192
N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine
CID 103701651
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]pent-1-yn-3-amine
CID 106225214
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylbut-2-en-1-amine
CID 106180699
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830417
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine (CID 103701717) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine is C#CCCCNCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine?
The InChIKey is LILVDXSORBSFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-2-3-4-11-18-12-15-9-10-16(19-15)13-5-7-14(17)8-6-13/h1,5-10,18H,3-4,11-12H2.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine has a molecular weight of 257.31 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-4-yn-1-amine is sourced from PubChem (CID 103701717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).