(1S)-1-[4-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine

C11H14FN5O — CID 107041477

IUPAC(1S)-1-[4-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccc(F)cc1OCc1nnn(C)n1
InChIInChI=1S/C11H14FN5O/c1-7(13)9-4-3-8(12)5-10(9)18-6-11-14-16-17(2)15-11/h3-5,7H,6,13H2,1-2H3/t7-/m0/s1
InChIKeyQCLTYYIODFINSA-ZETCQYMHSA-N
MW251.26 g/mol
LogP0.95
Rot. Bonds4

About (1S)-1-[4-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine

(1S)-1-[4-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine (PubChem CID 107041477) has the molecular formula C11H14FN5O and a molecular weight of 251.26 g/mol. Its IUPAC name is (1S)-1-[4-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
PubChem CID107041477
Molecular FormulaC11H14FN5O
Molecular Weight251.26 g/mol
Exact Mass251.12
IUPAC Name(1S)-1-[4-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1ccc(F)cc1OCc1nnn(C)n1
InChIInChI=1S/C11H14FN5O/c1-7(13)9-4-3-8(12)5-10(9)18-6-11-14-16-17(2)15-11/h3-5,7H,6,13H2,1-2H3/t7-/m0/s1
InChIKeyQCLTYYIODFINSA-ZETCQYMHSA-N
XLogP0.95
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine (CID 107041477) is (1S)-1-[4-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine is C[C@H](N)c1ccc(F)cc1OCc1nnn(C)n1.
What is the InChIKey of (1S)-1-[4-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine?
The InChIKey is QCLTYYIODFINSA-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-7(13)9-4-3-8(12)5-10(9)18-6-11-14-16-17(2)15-11/h3-5,7H,6,13H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-[4-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine?
(1S)-1-[4-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine has a molecular weight of 251.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-fluoro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107041477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).