N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine

C10H11Br2N5O — CID 4725454

IUPACN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCCOc1c(Br)cc(Br)cc1CNc1nn[nH]n1
InChIInChI=1S/C10H11Br2N5O/c1-2-18-9-6(3-7(11)4-8(9)12)5-13-10-14-16-17-15-10/h3-4H,2,5H2,1H3,(H2,13,14,15,16,17)
InChIKeyLLBGREWQDZKMAI-UHFFFAOYSA-N
MW377.04 g/mol
LogP2.74
Rot. Bonds5

About N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine

N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine (PubChem CID 4725454) has the molecular formula C10H11Br2N5O and a molecular weight of 377.04 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine
PubChem CID4725454
Molecular FormulaC10H11Br2N5O
Molecular Weight377.04 g/mol
Exact Mass374.93
IUPAC NameN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine
SMILESCCOc1c(Br)cc(Br)cc1CNc1nn[nH]n1
InChIInChI=1S/C10H11Br2N5O/c1-2-18-9-6(3-7(11)4-8(9)12)5-13-10-14-16-17-15-10/h3-4H,2,5H2,1H3,(H2,13,14,15,16,17)
InChIKeyLLBGREWQDZKMAI-UHFFFAOYSA-N
XLogP2.74
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.04
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66543142
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine
CID 43776849
1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
CID 4717481
2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
CID 107597573
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine
CID 107584894
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylaniline
CID 43766092
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine
CID 43776644
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylbutan-1-amine
CID 63476481
N-[(2-chloro-4,5-diethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66542076
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460542
5-bromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-fluoroaniline
CID 43777548
5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
CID 63477755

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine (CID 4725454) is N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine is CCOc1c(Br)cc(Br)cc1CNc1nn[nH]n1.
What is the InChIKey of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine?
The InChIKey is LLBGREWQDZKMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N5O/c1-2-18-9-6(3-7(11)4-8(9)12)5-13-10-14-16-17-15-10/h3-4H,2,5H2,1H3,(H2,13,14,15,16,17).
What are the key properties of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine?
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine has a molecular weight of 377.04 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 4725454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).