N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine

C12H16BrN5O2 — CID 66543215

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C12H16BrN5O2/c1-4-18-12(15-16-17-18)14-7-8-5-10(19-2)11(20-3)6-9(8)13/h5-6H,4,7H2,1-3H3,(H,14,15,17)
InChIKeyYDZRRELPJSARGA-UHFFFAOYSA-N
MW342.20 g/mol
LogP2.08
Rot. Bonds6

About N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine (PubChem CID 66543215) has the molecular formula C12H16BrN5O2 and a molecular weight of 342.20 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
PubChem CID66543215
Molecular FormulaC12H16BrN5O2
Molecular Weight342.20 g/mol
Exact Mass341.05
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
SMILESCCn1nnnc1NCc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C12H16BrN5O2/c1-4-18-12(15-16-17-18)14-7-8-5-10(19-2)11(20-3)6-9(8)13/h5-6H,4,7H2,1-3H3,(H,14,15,17)
InChIKeyYDZRRELPJSARGA-UHFFFAOYSA-N
XLogP2.08
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66544536
N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
CID 66545060
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 66543214
N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 66542807
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66544816
N-[[2-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 66542061
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66543195
N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
CID 66540391
N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 4726994
2-[5-bromo-2-ethoxy-4-[[(1-ethyltetrazol-5-yl)amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66541135
N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66542866
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 66543957

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine (CID 66543215) is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine is CCn1nnnc1NCc1cc(OC)c(OC)cc1Br.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine?
The InChIKey is YDZRRELPJSARGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O2/c1-4-18-12(15-16-17-18)14-7-8-5-10(19-2)11(20-3)6-9(8)13/h5-6H,4,7H2,1-3H3,(H,14,15,17).
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine?
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine has a molecular weight of 342.20 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine is sourced from PubChem (CID 66543215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).