2-fluoro-N-(4-methoxy-4-methylpentan-2-yl)-5-(tetrazol-1-yl)aniline

C14H20FN5O — CID 60943531

IUPAC2-fluoro-N-(4-methoxy-4-methylpentan-2-yl)-5-(tetrazol-1-yl)aniline
SMILESCOC(C)(C)CC(C)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C14H20FN5O/c1-10(8-14(2,3)21-4)17-13-7-11(5-6-12(13)15)20-9-16-18-19-20/h5-7,9-10,17H,8H2,1-4H3
InChIKeyDUJKJKUVGKXPBN-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.42
Rot. Bonds6

About 2-fluoro-N-(4-methoxy-4-methylpentan-2-yl)-5-(tetrazol-1-yl)aniline

2-fluoro-N-(4-methoxy-4-methylpentan-2-yl)-5-(tetrazol-1-yl)aniline (PubChem CID 60943531) has the molecular formula C14H20FN5O and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-fluoro-N-(4-methoxy-4-methylpentan-2-yl)-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(4-methoxy-4-methylpentan-2-yl)-5-(tetrazol-1-yl)aniline
PubChem CID60943531
Molecular FormulaC14H20FN5O
Molecular Weight293.35 g/mol
Exact Mass293.17
IUPAC Name2-fluoro-N-(4-methoxy-4-methylpentan-2-yl)-5-(tetrazol-1-yl)aniline
SMILESCOC(C)(C)CC(C)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C14H20FN5O/c1-10(8-14(2,3)21-4)17-13-7-11(5-6-12(13)15)20-9-16-18-19-20/h5-7,9-10,17H,8H2,1-4H3
InChIKeyDUJKJKUVGKXPBN-UHFFFAOYSA-N
XLogP2.42
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-(4-methoxy-4-methylpentan-2-yl)-5-(tetrazol-1-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methoxy-4-methylpentan-2-yl)-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-fluoro-N-(4-methoxy-4-methylpentan-2-yl)-5-(tetrazol-1-yl)aniline (CID 60943531) is 2-fluoro-N-(4-methoxy-4-methylpentan-2-yl)-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-fluoro-N-(4-methoxy-4-methylpentan-2-yl)-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-fluoro-N-(4-methoxy-4-methylpentan-2-yl)-5-(tetrazol-1-yl)aniline is COC(C)(C)CC(C)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of 2-fluoro-N-(4-methoxy-4-methylpentan-2-yl)-5-(tetrazol-1-yl)aniline?
The InChIKey is DUJKJKUVGKXPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5O/c1-10(8-14(2,3)21-4)17-13-7-11(5-6-12(13)15)20-9-16-18-19-20/h5-7,9-10,17H,8H2,1-4H3.
What are the key properties of 2-fluoro-N-(4-methoxy-4-methylpentan-2-yl)-5-(tetrazol-1-yl)aniline?
2-fluoro-N-(4-methoxy-4-methylpentan-2-yl)-5-(tetrazol-1-yl)aniline has a molecular weight of 293.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methoxy-4-methylpentan-2-yl)-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 60943531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).