N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]ethanamine

C12H17N5O — CID 55109019

IUPACN-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1ccccc1COC
InChIInChI=1S/C12H17N5O/c1-3-13-8-12-14-15-16-17(12)11-7-5-4-6-10(11)9-18-2/h4-7,13H,3,8-9H2,1-2H3
InChIKeyUPYXRTPIBNYHJB-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.92
Rot. Bonds6

About N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]ethanamine

N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]ethanamine (PubChem CID 55109019) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
PubChem CID55109019
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1ccccc1COC
InChIInChI=1S/C12H17N5O/c1-3-13-8-12-14-15-16-17(12)11-7-5-4-6-10(11)9-18-2/h4-7,13H,3,8-9H2,1-2H3
InChIKeyUPYXRTPIBNYHJB-UHFFFAOYSA-N
XLogP0.92
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]ethanamine (CID 55109019) is N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1-c1ccccc1COC.
What is the InChIKey of N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]ethanamine?
The InChIKey is UPYXRTPIBNYHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-13-8-12-14-15-16-17(12)11-7-5-4-6-10(11)9-18-2/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]ethanamine?
N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]ethanamine has a molecular weight of 247.30 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(methoxymethyl)phenyl]tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 55109019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).