3-(4-benzylphenoxy)-N-methyl-N-[2-(tetrazol-1-yl)ethyl]propan-1-amine

C20H25N5O — CID 11759918

IUPAC3-(4-benzylphenoxy)-N-methyl-N-[2-(tetrazol-1-yl)ethyl]propan-1-amine
SMILESCN(CCCOc1ccc(Cc2ccccc2)cc1)CCn1cnnn1
InChIInChI=1S/C20H25N5O/c1-24(13-14-25-17-21-22-23-25)12-5-15-26-20-10-8-19(9-11-20)16-18-6-3-2-4-7-18/h2-4,6-11,17H,5,12-16H2,1H3
InChIKeyAWVBRIUURRAPDO-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.66
Rot. Bonds10

About 3-(4-benzylphenoxy)-N-methyl-N-[2-(tetrazol-1-yl)ethyl]propan-1-amine

3-(4-benzylphenoxy)-N-methyl-N-[2-(tetrazol-1-yl)ethyl]propan-1-amine (PubChem CID 11759918) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(4-benzylphenoxy)-N-methyl-N-[2-(tetrazol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-benzylphenoxy)-N-methyl-N-[2-(tetrazol-1-yl)ethyl]propan-1-amine
PubChem CID11759918
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name3-(4-benzylphenoxy)-N-methyl-N-[2-(tetrazol-1-yl)ethyl]propan-1-amine
SMILESCN(CCCOc1ccc(Cc2ccccc2)cc1)CCn1cnnn1
InChIInChI=1S/C20H25N5O/c1-24(13-14-25-17-21-22-23-25)12-5-15-26-20-10-8-19(9-11-20)16-18-6-3-2-4-7-18/h2-4,6-11,17H,5,12-16H2,1H3
InChIKeyAWVBRIUURRAPDO-UHFFFAOYSA-N
XLogP2.66
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
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 3-(4-benzylphenoxy)-N-methyl-N-[2-(tetrazol-1-yl)ethyl]propan-1-amine?
The IUPAC name of 3-(4-benzylphenoxy)-N-methyl-N-[2-(tetrazol-1-yl)ethyl]propan-1-amine (CID 11759918) is 3-(4-benzylphenoxy)-N-methyl-N-[2-(tetrazol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(4-benzylphenoxy)-N-methyl-N-[2-(tetrazol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-(4-benzylphenoxy)-N-methyl-N-[2-(tetrazol-1-yl)ethyl]propan-1-amine is CN(CCCOc1ccc(Cc2ccccc2)cc1)CCn1cnnn1.
What is the InChIKey of 3-(4-benzylphenoxy)-N-methyl-N-[2-(tetrazol-1-yl)ethyl]propan-1-amine?
The InChIKey is AWVBRIUURRAPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-24(13-14-25-17-21-22-23-25)12-5-15-26-20-10-8-19(9-11-20)16-18-6-3-2-4-7-18/h2-4,6-11,17H,5,12-16H2,1H3.
What are the key properties of 3-(4-benzylphenoxy)-N-methyl-N-[2-(tetrazol-1-yl)ethyl]propan-1-amine?
3-(4-benzylphenoxy)-N-methyl-N-[2-(tetrazol-1-yl)ethyl]propan-1-amine has a molecular weight of 351.45 g/mol, XLogP of 2.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylphenoxy)-N-methyl-N-[2-(tetrazol-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 11759918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).