N-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine

C17H20FN5O2 — CID 166316645

IUPACN-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1ccc(C)o1)Cc1cc(-c2nn[nH]n2)ccc1F
InChIInChI=1S/C17H20FN5O2/c1-12-3-5-15(25-12)11-23(7-8-24-2)10-14-9-13(4-6-16(14)18)17-19-21-22-20-17/h3-6,9H,7-8,10-11H2,1-2H3,(H,19,20,21,22)
InChIKeyIAGZQFPSVHYCDQ-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.56
Rot. Bonds8

About N-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine

N-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 166316645) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID166316645
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC NameN-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1ccc(C)o1)Cc1cc(-c2nn[nH]n2)ccc1F
InChIInChI=1S/C17H20FN5O2/c1-12-3-5-15(25-12)11-23(7-8-24-2)10-14-9-13(4-6-16(14)18)17-19-21-22-20-17/h3-6,9H,7-8,10-11H2,1-2H3,(H,19,20,21,22)
InChIKeyIAGZQFPSVHYCDQ-UHFFFAOYSA-N
XLogP2.56
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine (CID 166316645) is N-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine is COCCN(Cc1ccc(C)o1)Cc1cc(-c2nn[nH]n2)ccc1F.
What is the InChIKey of N-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is IAGZQFPSVHYCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-12-3-5-15(25-12)11-23(7-8-24-2)10-14-9-13(4-6-16(14)18)17-19-21-22-20-17/h3-6,9H,7-8,10-11H2,1-2H3,(H,19,20,21,22).
What are the key properties of N-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine?
N-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 345.38 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 166316645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).