N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine

C16H17FN4O — CID 167910575

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine
SMILESCC(NCc1ccc(-c2ccc(F)cc2)o1)c1cn(C)nn1
InChIInChI=1S/C16H17FN4O/c1-11(15-10-21(2)20-19-15)18-9-14-7-8-16(22-14)12-3-5-13(17)6-4-12/h3-8,10-11,18H,9H2,1-2H3
InChIKeyGNWGCSYFAOLKGF-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.07
Rot. Bonds5

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine (PubChem CID 167910575) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine
PubChem CID167910575
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine
SMILESCC(NCc1ccc(-c2ccc(F)cc2)o1)c1cn(C)nn1
InChIInChI=1S/C16H17FN4O/c1-11(15-10-21(2)20-19-15)18-9-14-7-8-16(22-14)12-3-5-13(17)6-4-12/h3-8,10-11,18H,9H2,1-2H3
InChIKeyGNWGCSYFAOLKGF-UHFFFAOYSA-N
XLogP3.07
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine
CID 43080703
(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol
CID 79253494
methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate
CID 43723505
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine
CID 43534821
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine
CID 104954383
1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 61034800
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine
CID 106225214
3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-2-methylpropanenitrile
CID 62648146
N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888608
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine
CID 106328262
1-(5-fluoro-2-pyridinyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 83119707
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723536

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine (CID 167910575) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine is CC(NCc1ccc(-c2ccc(F)cc2)o1)c1cn(C)nn1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is GNWGCSYFAOLKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c1-11(15-10-21(2)20-19-15)18-9-14-7-8-16(22-14)12-3-5-13(17)6-4-12/h3-8,10-11,18H,9H2,1-2H3.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 300.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 167910575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).