[4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine

C15H15N5O — CID 106484887

IUPAC[4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H15N5O/c16-10-12-6-8-14(9-7-12)21-11-15-17-18-19-20(15)13-4-2-1-3-5-13/h1-9H,10-11,16H2
InChIKeyJLKBKGYBVHPJCK-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.70
Rot. Bonds5

About [4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine

[4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine (PubChem CID 106484887) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is [4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine
PubChem CID106484887
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name[4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine
SMILESNCc1ccc(OCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H15N5O/c16-10-12-6-8-14(9-7-12)21-11-15-17-18-19-20(15)13-4-2-1-3-5-13/h1-9H,10-11,16H2
InChIKeyJLKBKGYBVHPJCK-UHFFFAOYSA-N
XLogP1.70
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine?
The IUPAC name of [4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine (CID 106484887) is [4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine is NCc1ccc(OCc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of [4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine?
The InChIKey is JLKBKGYBVHPJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-10-12-6-8-14(9-7-12)21-11-15-17-18-19-20(15)13-4-2-1-3-5-13/h1-9H,10-11,16H2.
What are the key properties of [4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine?
[4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine has a molecular weight of 281.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 106484887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).