1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine

C16H16BrFN6O2 — CID 66544199

IUPAC1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine
SMILESCOc1ccc(Br)c(CNn2nnnc2N)c1OCc1ccc(F)cc1
InChIInChI=1S/C16H16BrFN6O2/c1-25-14-7-6-13(17)12(8-20-24-16(19)21-22-23-24)15(14)26-9-10-2-4-11(18)5-3-10/h2-7,20H,8-9H2,1H3,(H2,19,21,23)
InChIKeyRQLJHQJXIZJMMD-UHFFFAOYSA-N
MW423.25 g/mol
LogP2.49
Rot. Bonds7

About 1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine

1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine (PubChem CID 66544199) has the molecular formula C16H16BrFN6O2 and a molecular weight of 423.25 g/mol. Its IUPAC name is 1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine
PubChem CID66544199
Molecular FormulaC16H16BrFN6O2
Molecular Weight423.25 g/mol
Exact Mass422.05
IUPAC Name1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine
SMILESCOc1ccc(Br)c(CNn2nnnc2N)c1OCc1ccc(F)cc1
InChIInChI=1S/C16H16BrFN6O2/c1-25-14-7-6-13(17)12(8-20-24-16(19)21-22-23-24)15(14)26-9-10-2-4-11(18)5-3-10/h2-7,20H,8-9H2,1H3,(H2,19,21,23)
InChIKeyRQLJHQJXIZJMMD-UHFFFAOYSA-N
XLogP2.49
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.25
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]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-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 66544134
4-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 66544313
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 66535859
1-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727411
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine
CID 66535896
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine
CID 66538540
5-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol
CID 66535944
N-(1H-benzimidazol-2-ylmethyl)-1-[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 66538563
N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-fluoroaniline
CID 66543744
N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 66544393
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66535800
4-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1H-1,2,4-triazole-5-thione
CID 66544100

Frequently Asked Questions

What is the IUPAC name of 1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine (CID 66544199) is 1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine is COc1ccc(Br)c(CNn2nnnc2N)c1OCc1ccc(F)cc1.
What is the InChIKey of 1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine?
The InChIKey is RQLJHQJXIZJMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN6O2/c1-25-14-7-6-13(17)12(8-20-24-16(19)21-22-23-24)15(14)26-9-10-2-4-11(18)5-3-10/h2-7,20H,8-9H2,1H3,(H2,19,21,23).
What are the key properties of 1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine?
1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine has a molecular weight of 423.25 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 66544199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).