1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine

C12H16FN5O — CID 107051957

IUPAC1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)cc(OCc2nnn(C)n2)c1
InChIInChI=1S/C12H16FN5O/c1-8(14)3-9-4-10(13)6-11(5-9)19-7-12-15-17-18(2)16-12/h4-6,8H,3,7,14H2,1-2H3
InChIKeyGPPWGJPGFQGSAR-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.82
Rot. Bonds5

About 1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine

1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine (PubChem CID 107051957) has the molecular formula C12H16FN5O and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine
PubChem CID107051957
Molecular FormulaC12H16FN5O
Molecular Weight265.29 g/mol
Exact Mass265.13
IUPAC Name1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)cc(OCc2nnn(C)n2)c1
InChIInChI=1S/C12H16FN5O/c1-8(14)3-9-4-10(13)6-11(5-9)19-7-12-15-17-18(2)16-12/h4-6,8H,3,7,14H2,1-2H3
InChIKeyGPPWGJPGFQGSAR-UHFFFAOYSA-N
XLogP0.82
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041075
5-[(3,5-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055235
(2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine
CID 124510333
[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107043786
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 107041072
5-[(3-bromophenoxy)methyl]-2-methyltetrazole
CID 107043105
trifluoro-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]boranuide
CID 107044287
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041330
(1S)-1-[3-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041458
5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole
CID 107661914
1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine
CID 62699214
[3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanol
CID 107690642

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine (CID 107051957) is 1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine is CC(N)Cc1cc(F)cc(OCc2nnn(C)n2)c1.
What is the InChIKey of 1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is GPPWGJPGFQGSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5O/c1-8(14)3-9-4-10(13)6-11(5-9)19-7-12-15-17-18(2)16-12/h4-6,8H,3,7,14H2,1-2H3.
What are the key properties of 1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine?
1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 265.29 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 107051957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).