1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine

C12H17N5O — CID 107041072

IUPAC1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccc(OCc2nnn(C)n2)cc1
InChIInChI=1S/C12H17N5O/c1-3-11(13)9-4-6-10(7-5-9)18-8-12-14-16-17(2)15-12/h4-7,11H,3,8,13H2,1-2H3
InChIKeyOBNJQKFHARZFSQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.20
Rot. Bonds5

About 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine

1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine (PubChem CID 107041072) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine
PubChem CID107041072
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccc(OCc2nnn(C)n2)cc1
InChIInChI=1S/C12H17N5O/c1-3-11(13)9-4-6-10(7-5-9)18-8-12-14-16-17(2)15-12/h4-7,11H,3,8,13H2,1-2H3
InChIKeyOBNJQKFHARZFSQ-UHFFFAOYSA-N
XLogP1.20
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-amine
CID 63367781
1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041075
trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide
CID 107044287
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone
CID 107043044
(1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041458
1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-1-amine
CID 60877880
2-[5-[(2-methyltetrazol-5-yl)methoxy]-2-pyridinyl]ethanamine
CID 107051908
1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine
CID 66153014
(1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine
CID 102999817
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055235
1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048349

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine (CID 107041072) is 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine is CCC(N)c1ccc(OCc2nnn(C)n2)cc1.
What is the InChIKey of 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine?
The InChIKey is OBNJQKFHARZFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-11(13)9-4-6-10(7-5-9)18-8-12-14-16-17(2)15-12/h4-7,11H,3,8,13H2,1-2H3.
What are the key properties of 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine?
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine has a molecular weight of 247.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 107041072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).