5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline

C11H14FN5O — CID 102700364

IUPAC5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline
SMILESCOC(C)Cn1nnnc1-c1ccc(F)cc1N
InChIInChI=1S/C11H14FN5O/c1-7(18-2)6-17-11(14-15-16-17)9-4-3-8(12)5-10(9)13/h3-5,7H,6,13H2,1-2H3
InChIKeyGUEQGKRLZQTXSW-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.10
Rot. Bonds4

About 5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline

5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline (PubChem CID 102700364) has the molecular formula C11H14FN5O and a molecular weight of 251.27 g/mol. Its IUPAC name is 5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline
PubChem CID102700364
Molecular FormulaC11H14FN5O
Molecular Weight251.27 g/mol
Exact Mass251.12
IUPAC Name5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline
SMILESCOC(C)Cn1nnnc1-c1ccc(F)cc1N
InChIInChI=1S/C11H14FN5O/c1-7(18-2)6-17-11(14-15-16-17)9-4-3-8(12)5-10(9)13/h3-5,7H,6,13H2,1-2H3
InChIKeyGUEQGKRLZQTXSW-UHFFFAOYSA-N
XLogP1.10
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline
CID 102907806
4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
CID 61378736
4-fluoro-2-(1-propyltetrazol-5-yl)aniline
CID 61376378
4-fluoro-3-[1-(2-methylpropyl)tetrazol-5-yl]aniline
CID 61377924
2-[1-(2-methylbutyl)tetrazol-5-yl]aniline
CID 62692080
2-[1-(3-ethoxypropyl)tetrazol-5-yl]-4-fluoroaniline
CID 61378138
4-fluoro-3-[1-(2-methylbutyl)tetrazol-5-yl]aniline
CID 55108716
4-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]benzene-1,3-diamine
CID 61352878
2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline
CID 61351666
2-[1-(3-bromo-2-methylphenyl)tetrazol-5-yl]-5-fluoroaniline
CID 107638653
2-chloro-3-[1-(3-methoxy-2-methylpropyl)tetrazol-5-yl]aniline
CID 112580492
4-chloro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline
CID 102907782

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline?
The IUPAC name of 5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline (CID 102700364) is 5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline?
The canonical SMILES for 5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline is COC(C)Cn1nnnc1-c1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline?
The InChIKey is GUEQGKRLZQTXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-7(18-2)6-17-11(14-15-16-17)9-4-3-8(12)5-10(9)13/h3-5,7H,6,13H2,1-2H3.
What are the key properties of 5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline?
5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline has a molecular weight of 251.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 102700364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).