2-fluoro-3-methoxy-N-methyl-6-(tetrazol-1-yl)aniline

C9H10FN5O — CID 158253868

IUPAC2-fluoro-3-methoxy-N-methyl-6-(tetrazol-1-yl)aniline
SMILESCNc1c(-n2cnnn2)ccc(OC)c1F
InChIInChI=1S/C9H10FN5O/c1-11-9-6(15-5-12-13-14-15)3-4-7(16-2)8(9)10/h3-5,11H,1-2H3
InChIKeyGHAQNDXOYTUJIL-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.85
Rot. Bonds3

About 2-fluoro-3-methoxy-N-methyl-6-(tetrazol-1-yl)aniline

2-fluoro-3-methoxy-N-methyl-6-(tetrazol-1-yl)aniline (PubChem CID 158253868) has the molecular formula C9H10FN5O and a molecular weight of 223.21 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-N-methyl-6-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-fluoro-3-methoxy-N-methyl-6-(tetrazol-1-yl)aniline
PubChem CID158253868
Molecular FormulaC9H10FN5O
Molecular Weight223.21 g/mol
Exact Mass223.09
IUPAC Name2-fluoro-3-methoxy-N-methyl-6-(tetrazol-1-yl)aniline
SMILESCNc1c(-n2cnnn2)ccc(OC)c1F
InChIInChI=1S/C9H10FN5O/c1-11-9-6(15-5-12-13-14-15)3-4-7(16-2)8(9)10/h3-5,11H,1-2H3
InChIKeyGHAQNDXOYTUJIL-UHFFFAOYSA-N
XLogP0.85
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Methoxy-phenyl)-1H-tetrazole
CID 856021
1-(4-Methoxy-phenyl)-1H-tetrazole
CID 270008
3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 778173
3-methoxy-5-(1H-tetrazol-1-yl)aniline
CID 4913144
2-methoxy-4-(1H-tetrazol-1-yl)aniline
CID 5306940
1-[4-(Trifluoromethoxy)phenyl]tetrazole
CID 69730003
1-(4-ethoxyphenyl)-1H-tetrazole
CID 753609
4-[3-(Tetrazol-1-yl)phenoxy]piperidine
CID 45106460
N-{5-methoxy-2-[(1H-tetrazol-1-ylacetyl)amino]phenyl}-2-methylpropanamide
CID 50977635
1-(3-methoxyphenyl)-1H-1,2,4-triazole
CID 54594479
7-(1H-tetrazol-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 16766619
1-(4-Ethenoxy-3-fluorophenyl)tetrazole
CID 123190720

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-N-methyl-6-(tetrazol-1-yl)aniline?
The IUPAC name of 2-fluoro-3-methoxy-N-methyl-6-(tetrazol-1-yl)aniline (CID 158253868) is 2-fluoro-3-methoxy-N-methyl-6-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-fluoro-3-methoxy-N-methyl-6-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-fluoro-3-methoxy-N-methyl-6-(tetrazol-1-yl)aniline is CNc1c(-n2cnnn2)ccc(OC)c1F.
What is the InChIKey of 2-fluoro-3-methoxy-N-methyl-6-(tetrazol-1-yl)aniline?
The InChIKey is GHAQNDXOYTUJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O/c1-11-9-6(15-5-12-13-14-15)3-4-7(16-2)8(9)10/h3-5,11H,1-2H3.
What are the key properties of 2-fluoro-3-methoxy-N-methyl-6-(tetrazol-1-yl)aniline?
2-fluoro-3-methoxy-N-methyl-6-(tetrazol-1-yl)aniline has a molecular weight of 223.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-N-methyl-6-(tetrazol-1-yl)aniline is sourced from PubChem (CID 158253868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).