1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine

C11H12BrCl2N5 — CID 107794149

IUPAC1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1-c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H12BrCl2N5/c1-3-15-6(2)11-16-17-18-19(11)8-5-4-7(12)9(13)10(8)14/h4-6,15H,3H2,1-2H3
InChIKeyFAANGLQJECGLPT-UHFFFAOYSA-N
MW365.06 g/mol
LogP3.40
Rot. Bonds4

About 1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine

1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine (PubChem CID 107794149) has the molecular formula C11H12BrCl2N5 and a molecular weight of 365.06 g/mol. Its IUPAC name is 1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine
PubChem CID107794149
Molecular FormulaC11H12BrCl2N5
Molecular Weight365.06 g/mol
Exact Mass362.97
IUPAC Name1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnnn1-c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H12BrCl2N5/c1-3-15-6(2)11-16-17-18-19(11)8-5-4-7(12)9(13)10(8)14/h4-6,15H,3H2,1-2H3
InChIKeyFAANGLQJECGLPT-UHFFFAOYSA-N
XLogP3.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.06
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 107794145
1-[1-(4-bromo-2,3-dichlorophenyl)-5-methyltriazol-4-yl]-N-ethylethanamine
CID 107792886
1-[1-(2,4-difluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103085100
N-ethyl-1-[1-(4-propylphenyl)tetrazol-5-yl]ethanamine
CID 103085163
N-[1-[1-(2-bromophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084884
N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084942
1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086450
1-[1-(2,6-dichloro-4-fluorophenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086766
N-[1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084976
N-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine
CID 103085142
N-[1-[1-(2,3-difluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085956
1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103084978

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine (CID 107794149) is 1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine is CCNC(C)c1nnnn1-c1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine?
The InChIKey is FAANGLQJECGLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2N5/c1-3-15-6(2)11-16-17-18-19(11)8-5-4-7(12)9(13)10(8)14/h4-6,15H,3H2,1-2H3.
What are the key properties of 1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine?
1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine has a molecular weight of 365.06 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-2,3-dichlorophenyl)tetrazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 107794149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).