N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine

C15H14BrN5O — CID 4727649

IUPACN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESBrc1ccc(OCc2ccccc2)c(CNc2nn[nH]n2)c1
InChIInChI=1S/C15H14BrN5O/c16-13-6-7-14(22-10-11-4-2-1-3-5-11)12(8-13)9-17-15-18-20-21-19-15/h1-8H,9-10H2,(H2,17,18,19,20,21)
InChIKeyTXOWSQMBBHPJEQ-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.15
Rot. Bonds6

About N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine

N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 4727649) has the molecular formula C15H14BrN5O and a molecular weight of 360.22 g/mol. Its IUPAC name is N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID4727649
Molecular FormulaC15H14BrN5O
Molecular Weight360.22 g/mol
Exact Mass359.04
IUPAC NameN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESBrc1ccc(OCc2ccccc2)c(CNc2nn[nH]n2)c1
InChIInChI=1S/C15H14BrN5O/c16-13-6-7-14(22-10-11-4-2-1-3-5-11)12(8-13)9-17-15-18-20-21-19-15/h1-8H,9-10H2,(H2,17,18,19,20,21)
InChIKeyTXOWSQMBBHPJEQ-UHFFFAOYSA-N
XLogP3.15
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.15
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-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 961498
N-(5-bromo-2-ethoxybenzyl)-2H-tetrazol-5-amine
CID 834327
N-{3-[(4-fluorobenzyl)oxy]benzyl}-1H-tetrazol-5-amine
CID 964536

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine (CID 4727649) is N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine is Brc1ccc(OCc2ccccc2)c(CNc2nn[nH]n2)c1.
What is the InChIKey of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is TXOWSQMBBHPJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O/c16-13-6-7-14(22-10-11-4-2-1-3-5-11)12(8-13)9-17-15-18-20-21-19-15/h1-8H,9-10H2,(H2,17,18,19,20,21).
What are the key properties of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine?
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 360.22 g/mol, XLogP of 3.15, 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-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 4727649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).