2-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]ethanamine

C16H17N5O — CID 162416237

IUPAC2-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]ethanamine
SMILESCc1ccc(Oc2ccc(-c3nnn(CCN)n3)cc2)cc1
InChIInChI=1S/C16H17N5O/c1-12-2-6-14(7-3-12)22-15-8-4-13(5-9-15)16-18-20-21(19-16)11-10-17/h2-9H,10-11,17H2,1H3
InChIKeyDRMJFYFIKJYJRF-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.40
Rot. Bonds5

About 2-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]ethanamine

2-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]ethanamine (PubChem CID 162416237) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]ethanamine
PubChem CID162416237
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]ethanamine
SMILESCc1ccc(Oc2ccc(-c3nnn(CCN)n3)cc2)cc1
InChIInChI=1S/C16H17N5O/c1-12-2-6-14(7-3-12)22-15-8-4-13(5-9-15)16-18-20-21(19-16)11-10-17/h2-9H,10-11,17H2,1H3
InChIKeyDRMJFYFIKJYJRF-UHFFFAOYSA-N
XLogP2.40
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]ethanamine?
The IUPAC name of 2-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]ethanamine (CID 162416237) is 2-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]ethanamine is Cc1ccc(Oc2ccc(-c3nnn(CCN)n3)cc2)cc1.
What is the InChIKey of 2-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]ethanamine?
The InChIKey is DRMJFYFIKJYJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-12-2-6-14(7-3-12)22-15-8-4-13(5-9-15)16-18-20-21(19-16)11-10-17/h2-9H,10-11,17H2,1H3.
What are the key properties of 2-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]ethanamine?
2-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]ethanamine has a molecular weight of 295.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(4-methylphenoxy)phenyl]tetrazol-2-yl]ethanamine is sourced from PubChem (CID 162416237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).