1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine

C12H16BrN5O — CID 103086450

IUPAC1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1-c1ccc(OC)c(Br)c1
InChIInChI=1S/C12H16BrN5O/c1-4-14-8(2)12-15-16-17-18(12)9-5-6-11(19-3)10(13)7-9/h5-8,14H,4H2,1-3H3
InChIKeySCEUMJFALHKIEF-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.10
Rot. Bonds5

About 1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine

1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine (PubChem CID 103086450) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine
PubChem CID103086450
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1-c1ccc(OC)c(Br)c1
InChIInChI=1S/C12H16BrN5O/c1-4-14-8(2)12-15-16-17-18(12)9-5-6-11(19-3)10(13)7-9/h5-8,14H,4H2,1-3H3
InChIKeySCEUMJFALHKIEF-UHFFFAOYSA-N
XLogP2.10
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086789
N-[1-[1-(4-chloro-3-methoxyphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 107623260
1-(3-bromo-4-methoxyphenyl)tetrazol-5-amine
CID 79507108
N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine
CID 103085163
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
1-(3-bromo-4-methoxyphenyl)-5-(trifluoromethyl)tetrazole
CID 10947253
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084879
1-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]-N-ethylethanamine
CID 103084725
1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 107794149
N-[[3-(3-bromo-4-methoxyphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451635
N-[1-[1-(3,4-difluorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085104
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103085062

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine (CID 103086450) is 1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine is CCNC(C)c1nnnn1-c1ccc(OC)c(Br)c1.
What is the InChIKey of 1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine?
The InChIKey is SCEUMJFALHKIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-4-14-8(2)12-15-16-17-18(12)9-5-6-11(19-3)10(13)7-9/h5-8,14H,4H2,1-3H3.
What are the key properties of 1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine?
1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine has a molecular weight of 326.20 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 103086450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).