1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine

C15H15FN6O — CID 4727217

IUPAC1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1ccccc1OCc1ccccc1F
InChIInChI=1S/C15H15FN6O/c16-13-7-3-1-6-12(13)10-23-14-8-4-2-5-11(14)9-18-22-15(17)19-20-21-22/h1-8,18H,9-10H2,(H2,17,19,21)
InChIKeyVBGFYSFHUJYQHD-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.72
Rot. Bonds6

About 1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine

1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine (PubChem CID 4727217) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
PubChem CID4727217
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1ccccc1OCc1ccccc1F
InChIInChI=1S/C15H15FN6O/c16-13-7-3-1-6-12(13)10-23-14-8-4-2-5-11(14)9-18-22-15(17)19-20-21-22/h1-8,18H,9-10H2,(H2,17,19,21)
InChIKeyVBGFYSFHUJYQHD-UHFFFAOYSA-N
XLogP1.72
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727411
1-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]tetrazole-1,5-diamine
CID 4727407
1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
CID 66539612
1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727280
1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4725530
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 4720382
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295917
1-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]tetrazole-1,5-diamine
CID 4727212
1-N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
CID 66539682
4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 5201941
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722045
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207210

Frequently Asked Questions

What is the IUPAC name of 1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine (CID 4727217) is 1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine is Nc1nnnn1NCc1ccccc1OCc1ccccc1F.
What is the InChIKey of 1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
The InChIKey is VBGFYSFHUJYQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O/c16-13-7-3-1-6-12(13)10-23-14-8-4-2-5-11(14)9-18-22-15(17)19-20-21-22/h1-8,18H,9-10H2,(H2,17,19,21).
What are the key properties of 1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine?
1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine has a molecular weight of 314.32 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 4727217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).