2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline

C10H12FN5O — CID 107042537

IUPAC2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
SMILESCOc1ccc(F)c(NCc2nnn(C)n2)c1
InChIInChI=1S/C10H12FN5O/c1-16-14-10(13-15-16)6-12-9-5-7(17-2)3-4-8(9)11/h3-5,12H,6H2,1-2H3
InChIKeyOBQJXMSEZIHIMG-UHFFFAOYSA-N
MW237.24 g/mol
LogP0.97
Rot. Bonds4

About 2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline

2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline (PubChem CID 107042537) has the molecular formula C10H12FN5O and a molecular weight of 237.24 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
PubChem CID107042537
Molecular FormulaC10H12FN5O
Molecular Weight237.24 g/mol
Exact Mass237.10
IUPAC Name2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline
SMILESCOc1ccc(F)c(NCc2nnn(C)n2)c1
InChIInChI=1S/C10H12FN5O/c1-16-14-10(13-15-16)6-12-9-5-7(17-2)3-4-8(9)11/h3-5,12H,6H2,1-2H3
InChIKeyOBQJXMSEZIHIMG-UHFFFAOYSA-N
XLogP0.97
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The IUPAC name of 2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline (CID 107042537) is 2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline is COc1ccc(F)c(NCc2nnn(C)n2)c1.
What is the InChIKey of 2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The InChIKey is OBQJXMSEZIHIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O/c1-16-14-10(13-15-16)6-12-9-5-7(17-2)3-4-8(9)11/h3-5,12H,6H2,1-2H3.
What are the key properties of 2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline?
2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline has a molecular weight of 237.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-N-[(2-methyltetrazol-5-yl)methyl]aniline is sourced from PubChem (CID 107042537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).