N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine

C15H13BrFN5O — CID 4727661

IUPACN-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
SMILESFc1ccccc1COc1ccc(Br)cc1CNc1nn[nH]n1
InChIInChI=1S/C15H13BrFN5O/c16-12-5-6-14(23-9-10-3-1-2-4-13(10)17)11(7-12)8-18-15-19-21-22-20-15/h1-7H,8-9H2,(H2,18,19,20,21,22)
InChIKeyMFQCVJGRDGRUKO-UHFFFAOYSA-N
MW378.21 g/mol
LogP3.29
Rot. Bonds6

About N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine

N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine (PubChem CID 4727661) has the molecular formula C15H13BrFN5O and a molecular weight of 378.21 g/mol. Its IUPAC name is N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
PubChem CID4727661
Molecular FormulaC15H13BrFN5O
Molecular Weight378.21 g/mol
Exact Mass377.03
IUPAC NameN-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
SMILESFc1ccccc1COc1ccc(Br)cc1CNc1nn[nH]n1
InChIInChI=1S/C15H13BrFN5O/c16-12-5-6-14(23-9-10-3-1-2-4-13(10)17)11(7-12)8-18-15-19-21-22-20-15/h1-7H,8-9H2,(H2,18,19,20,21,22)
InChIKeyMFQCVJGRDGRUKO-UHFFFAOYSA-N
XLogP3.29
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzyloxy)benzyl]-1H-tetrazol-5-amine
CID 4727170
N-[(5-bromo-2-methoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 3158529
N-{5-bromo-2-[(2-fluorobenzyl)oxy]benzyl}-2-methyl-2H-tetrazol-5-amine
CID 1017082
3-N-[[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 155553798
N-(3,5-dibromo-2-methoxybenzyl)-2-ethyl-2H-tetrazol-5-amine
CID 39860663
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine
CID 1288305
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
CID 964526
N-(3,5-dibromo-2-methoxybenzyl)-2-propyl-2H-tetrazol-5-amine
CID 39860706
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
CID 964535
N-(5-bromo-2-ethoxybenzyl)-2H-tetrazol-5-amine
CID 834327
N-{3-[(4-fluorobenzyl)oxy]benzyl}-1H-tetrazol-5-amine
CID 964536
N-{5-bromo-2-[(4-fluorobenzyl)oxy]benzyl}-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine
CID 4718542

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine (CID 4727661) is N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine is Fc1ccccc1COc1ccc(Br)cc1CNc1nn[nH]n1.
What is the InChIKey of N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
The InChIKey is MFQCVJGRDGRUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN5O/c16-12-5-6-14(23-9-10-3-1-2-4-13(10)17)11(7-12)8-18-15-19-21-22-20-15/h1-7H,8-9H2,(H2,18,19,20,21,22).
What are the key properties of N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine?
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine has a molecular weight of 378.21 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 4727661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).