2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine

C14H21N5O — CID 79756983

IUPAC2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nnnn1CCc1ccccc1C
InChIInChI=1S/C14H21N5O/c1-12-5-3-4-6-13(12)7-9-19-14(16-17-18-19)11-15-8-10-20-2/h3-6,15H,7-11H2,1-2H3
InChIKeyNYSMEITWQCKFTC-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.96
Rot. Bonds8

About 2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine

2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine (PubChem CID 79756983) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
PubChem CID79756983
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nnnn1CCc1ccccc1C
InChIInChI=1S/C14H21N5O/c1-12-5-3-4-6-13(12)7-9-19-14(16-17-18-19)11-15-8-10-20-2/h3-6,15H,7-11H2,1-2H3
InChIKeyNYSMEITWQCKFTC-UHFFFAOYSA-N
XLogP0.96
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine (CID 79756983) is 2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine is COCCNCc1nnnn1CCc1ccccc1C.
What is the InChIKey of 2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine?
The InChIKey is NYSMEITWQCKFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-12-5-3-4-6-13(12)7-9-19-14(16-17-18-19)11-15-8-10-20-2/h3-6,15H,7-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine has a molecular weight of 275.36 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79756983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).