2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine

C12H17N5O — CID 116820081

IUPAC2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine
SMILESCCc1ccccc1OCc1nnn(CCN)n1
InChIInChI=1S/C12H17N5O/c1-2-10-5-3-4-6-11(10)18-9-12-14-16-17(15-12)8-7-13/h3-6H,2,7-9,13H2,1H3
InChIKeyDYNSVLGRLNEYPM-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.77
Rot. Bonds6

About 2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine

2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine (PubChem CID 116820081) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine
PubChem CID116820081
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine
SMILESCCc1ccccc1OCc1nnn(CCN)n1
InChIInChI=1S/C12H17N5O/c1-2-10-5-3-4-6-11(10)18-9-12-14-16-17(15-12)8-7-13/h3-6H,2,7-9,13H2,1H3
InChIKeyDYNSVLGRLNEYPM-UHFFFAOYSA-N
XLogP0.77
TPSA78.85 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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(4-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine
CID 116820083
2-[5-[(2,4-dimethylphenoxy)methyl]tetrazol-2-yl]ethanamine
CID 116820091
2-[5-[(2-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820051
2-[5-[(2-methoxyphenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820058
N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 107041124
5-[(2-bromophenoxy)methyl]-2-methyltetrazole
CID 107043106
[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
CID 107041085
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755
3-[3-(2-ethylphenoxy)propoxy]propan-1-amine
CID 82353346
2-(2-ethylphenoxy)-N'-hydroxyethanimidamide
CID 43364299
1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene
CID 60627116
1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine
CID 63315859

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine?
The IUPAC name of 2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine (CID 116820081) is 2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine is CCc1ccccc1OCc1nnn(CCN)n1.
What is the InChIKey of 2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine?
The InChIKey is DYNSVLGRLNEYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-10-5-3-4-6-11(10)18-9-12-14-16-17(15-12)8-7-13/h3-6H,2,7-9,13H2,1H3.
What are the key properties of 2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine?
2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine has a molecular weight of 247.30 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-ethylphenoxy)methyl]tetrazol-2-yl]ethanamine is sourced from PubChem (CID 116820081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).