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

C11H14BrN5O2 — CID 66543214

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCOc1cc(Br)c(CNc2nnnn2C)cc1OC
InChIInChI=1S/C11H14BrN5O2/c1-17-11(14-15-16-17)13-6-7-4-9(18-2)10(19-3)5-8(7)12/h4-5H,6H2,1-3H3,(H,13,14,16)
InChIKeyDCXJLBDJCLNUEQ-UHFFFAOYSA-N
MW328.17 g/mol
LogP1.60
Rot. Bonds5

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

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 66543214) has the molecular formula C11H14BrN5O2 and a molecular weight of 328.17 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID66543214
Molecular FormulaC11H14BrN5O2
Molecular Weight328.17 g/mol
Exact Mass327.03
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCOc1cc(Br)c(CNc2nnnn2C)cc1OC
InChIInChI=1S/C11H14BrN5O2/c1-17-11(14-15-16-17)13-6-7-4-9(18-2)10(19-3)5-8(7)12/h4-5H,6H2,1-3H3,(H,13,14,16)
InChIKeyDCXJLBDJCLNUEQ-UHFFFAOYSA-N
XLogP1.60
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 66542807
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66543193
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66543215
N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727584
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-ethyltetrazol-5-amine
CID 66544536
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66544816
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 66540383
N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 66543735
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66543195
N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-ethyltetrazol-5-amine
CID 66545060
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727564
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methylpyrazol-4-amine
CID 43776617

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine (CID 66543214) is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine is COc1cc(Br)c(CNc2nnnn2C)cc1OC.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is DCXJLBDJCLNUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O2/c1-17-11(14-15-16-17)13-6-7-4-9(18-2)10(19-3)5-8(7)12/h4-5H,6H2,1-3H3,(H,13,14,16).
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 328.17 g/mol, XLogP of 1.60, 5 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-methyltetrazol-5-amine is sourced from PubChem (CID 66543214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).