1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine

C11H15N5O — CID 107041075

IUPAC1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cccc(OCc2nnn(C)n2)c1
InChIInChI=1S/C11H15N5O/c1-8(12)9-4-3-5-10(6-9)17-7-11-13-15-16(2)14-11/h3-6,8H,7,12H2,1-2H3
InChIKeyHVHAFZZFQGUIND-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.81
Rot. Bonds4

About 1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine

1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine (PubChem CID 107041075) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
PubChem CID107041075
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cccc(OCc2nnn(C)n2)c1
InChIInChI=1S/C11H15N5O/c1-8(12)9-4-3-5-10(6-9)17-7-11-13-15-16(2)14-11/h3-6,8H,7,12H2,1-2H3
InChIKeyHVHAFZZFQGUIND-UHFFFAOYSA-N
XLogP0.81
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-bromophenoxy)methyl]-2-methyltetrazole
CID 107043105
(1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041458
[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107043786
(1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66139527
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 107041072
2-tert-butyl-5-[(3-propan-2-ylphenoxy)methyl]tetrazole
CID 132970662
1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772319
1-(3-ethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048319
1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine
CID 107051957
1-[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54961430
(1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66152982
(1R)-1-[3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 55188676

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine (CID 107041075) is 1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine is CC(N)c1cccc(OCc2nnn(C)n2)c1.
What is the InChIKey of 1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine?
The InChIKey is HVHAFZZFQGUIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8(12)9-4-3-5-10(6-9)17-7-11-13-15-16(2)14-11/h3-6,8H,7,12H2,1-2H3.
What are the key properties of 1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine?
1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine has a molecular weight of 233.27 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107041075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).