2-[3-(tetrazol-1-yl)phenoxy]ethanamine

C9H11N5O — CID 45157260

IUPAC2-[3-(tetrazol-1-yl)phenoxy]ethanamine
SMILESNCCOc1cccc(-n2cnnn2)c1
InChIInChI=1S/C9H11N5O/c10-4-5-15-9-3-1-2-8(6-9)14-7-11-12-13-14/h1-3,6-7H,4-5,10H2
InChIKeyOANZKOKFAVFMKJ-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.00
Rot. Bonds4

About 2-[3-(tetrazol-1-yl)phenoxy]ethanamine

2-[3-(tetrazol-1-yl)phenoxy]ethanamine (PubChem CID 45157260) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-[3-(tetrazol-1-yl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[3-(tetrazol-1-yl)phenoxy]ethanamine
PubChem CID45157260
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-[3-(tetrazol-1-yl)phenoxy]ethanamine
SMILESNCCOc1cccc(-n2cnnn2)c1
InChIInChI=1S/C9H11N5O/c10-4-5-15-9-3-1-2-8(6-9)14-7-11-12-13-14/h1-3,6-7H,4-5,10H2
InChIKeyOANZKOKFAVFMKJ-UHFFFAOYSA-N
XLogP-0.00
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 82513199
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole
CID 1157293
2-(3-bromophenoxy)ethyl 3-(tetrazol-1-yl)benzoate
CID 18080462
2-[3-(3-ethyl-1,2,4-triazol-4-yl)phenoxy]ethanamine
CID 96687117
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]tetrazole
CID 52891595
N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide
CID 31916303
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide
CID 30881718
1-[3-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]tetrazole
CID 26050435
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
N,N-dibenzyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769206

Frequently Asked Questions

What is the IUPAC name of 2-[3-(tetrazol-1-yl)phenoxy]ethanamine?
The IUPAC name of 2-[3-(tetrazol-1-yl)phenoxy]ethanamine (CID 45157260) is 2-[3-(tetrazol-1-yl)phenoxy]ethanamine.
What is the SMILES notation for 2-[3-(tetrazol-1-yl)phenoxy]ethanamine?
The canonical SMILES for 2-[3-(tetrazol-1-yl)phenoxy]ethanamine is NCCOc1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-[3-(tetrazol-1-yl)phenoxy]ethanamine?
The InChIKey is OANZKOKFAVFMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c10-4-5-15-9-3-1-2-8(6-9)14-7-11-12-13-14/h1-3,6-7H,4-5,10H2.
What are the key properties of 2-[3-(tetrazol-1-yl)phenoxy]ethanamine?
2-[3-(tetrazol-1-yl)phenoxy]ethanamine has a molecular weight of 205.22 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tetrazol-1-yl)phenoxy]ethanamine is sourced from PubChem (CID 45157260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).