N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine

C15H14FN5O — CID 964526

IUPACN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
SMILESFc1ccc(COc2ccccc2CNc2nn[nH]n2)cc1
InChIInChI=1S/C15H14FN5O/c16-13-7-5-11(6-8-13)10-22-14-4-2-1-3-12(14)9-17-15-18-20-21-19-15/h1-8H,9-10H2,(H2,17,18,19,20,21)
InChIKeyMHDLNXFUMBWNIZ-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.53
Rot. Bonds6

About N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine

N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine (PubChem CID 964526) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
PubChem CID964526
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
SMILESFc1ccc(COc2ccccc2CNc2nn[nH]n2)cc1
InChIInChI=1S/C15H14FN5O/c16-13-7-5-11(6-8-13)10-22-14-4-2-1-3-12(14)9-17-15-18-20-21-19-15/h1-8H,9-10H2,(H2,17,18,19,20,21)
InChIKeyMHDLNXFUMBWNIZ-UHFFFAOYSA-N
XLogP2.53
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine (CID 964526) is N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine is Fc1ccc(COc2ccccc2CNc2nn[nH]n2)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The InChIKey is MHDLNXFUMBWNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c16-13-7-5-11(6-8-13)10-22-14-4-2-1-3-12(14)9-17-15-18-20-21-19-15/h1-8H,9-10H2,(H2,17,18,19,20,21).
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine has a molecular weight of 299.31 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 964526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).