4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine

C13H19FN6O — CID 103389190

IUPAC4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C13H19FN6O/c1-21-8-10(3-2-6-15)17-13-7-11(4-5-12(13)14)20-9-16-18-19-20/h4-5,7,9-10,17H,2-3,6,8,15H2,1H3
InChIKeySAQZEVWYNDBABL-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.97
Rot. Bonds8

About 4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine

4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine (PubChem CID 103389190) has the molecular formula C13H19FN6O and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine
PubChem CID103389190
Molecular FormulaC13H19FN6O
Molecular Weight294.33 g/mol
Exact Mass294.16
IUPAC Name4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C13H19FN6O/c1-21-8-10(3-2-6-15)17-13-7-11(4-5-12(13)14)20-9-16-18-19-20/h4-5,7,9-10,17H,2-3,6,8,15H2,1H3
InChIKeySAQZEVWYNDBABL-UHFFFAOYSA-N
XLogP0.97
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine
CID 103388349
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
N-heptan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 63946708
2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
CID 55086376
2-fluoro-N-[1-(furan-2-yl)ethyl]-5-(tetrazol-1-yl)aniline
CID 60943526
2-fluoro-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline
CID 60972679
(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 104902971
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-hexan-3-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 103936260
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
2-[(5-amino-1-methoxypentan-2-yl)amino]-5-(trifluoromethyl)benzonitrile
CID 103390794
2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55811964

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine (CID 103389190) is 4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine is COCC(CCCN)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of 4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine?
The InChIKey is SAQZEVWYNDBABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN6O/c1-21-8-10(3-2-6-15)17-13-7-11(4-5-12(13)14)20-9-16-18-19-20/h4-5,7,9-10,17H,2-3,6,8,15H2,1H3.
What are the key properties of 4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine?
4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine has a molecular weight of 294.33 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103389190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).