N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine

C11H13Br2N5O — CID 39860663

IUPACN-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine
SMILESCCn1nnc(NCc2cc(Br)cc(Br)c2OC)n1
InChIInChI=1S/C11H13Br2N5O/c1-3-18-16-11(15-17-18)14-6-7-4-8(12)5-9(13)10(7)19-2/h4-5H,3,6H2,1-2H3,(H,14,16)
InChIKeyLUMXJKMTIKSZID-UHFFFAOYSA-N
MW391.07 g/mol
LogP2.84
Rot. Bonds5

About N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine

N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine (PubChem CID 39860663) has the molecular formula C11H13Br2N5O and a molecular weight of 391.07 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine
PubChem CID39860663
Molecular FormulaC11H13Br2N5O
Molecular Weight391.07 g/mol
Exact Mass388.95
IUPAC NameN-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine
SMILESCCn1nnc(NCc2cc(Br)cc(Br)c2OC)n1
InChIInChI=1S/C11H13Br2N5O/c1-3-18-16-11(15-17-18)14-6-7-4-8(12)5-9(13)10(7)19-2/h4-5H,3,6H2,1-2H3,(H,14,16)
InChIKeyLUMXJKMTIKSZID-UHFFFAOYSA-N
XLogP2.84
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.07
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 663030
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
N-(3,5-dibromo-2-methoxybenzyl)-2-propyl-2H-tetrazol-5-amine
CID 39860706
N-(5-bromo-2-ethoxybenzyl)-2H-tetrazol-5-amine
CID 834327
N-{5-bromo-2-[(2-fluorobenzyl)oxy]benzyl}-1H-tetrazol-5-amine
CID 4727661
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
CID 4727659
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-propyltetrazol-5-amine
CID 19644390
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4727649
1-N-[(5-bromo-2-methoxyphenyl)methyl]tetrazole-1,5-diamine
CID 833793
N-(5-bromo-2-methoxybenzyl)-1H-tetrazol-5-amine
CID 913397
3-(3,5-dibromo-2-methoxyphenyl)-N-(2-methyltetrazol-5-yl)prop-2-enamide
CID 1396939

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine?
The IUPAC name of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine (CID 39860663) is N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine.
What is the SMILES notation for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine?
The canonical SMILES for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine is CCn1nnc(NCc2cc(Br)cc(Br)c2OC)n1.
What is the InChIKey of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine?
The InChIKey is LUMXJKMTIKSZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N5O/c1-3-18-16-11(15-17-18)14-6-7-4-8(12)5-9(13)10(7)19-2/h4-5H,3,6H2,1-2H3,(H,14,16).
What are the key properties of N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine?
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine has a molecular weight of 391.07 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-ethyltetrazol-5-amine is sourced from PubChem (CID 39860663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).