N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine

C11H13BrClN5 — CID 113445682

IUPACN-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1cc(Cl)c(C)cc1Br
InChIInChI=1S/C11H13BrClN5/c1-3-14-6-11-15-16-17-18(11)10-5-9(13)7(2)4-8(10)12/h4-5,14H,3,6H2,1-2H3
InChIKeyPRQNLEPANSUCRH-UHFFFAOYSA-N
MW330.62 g/mol
LogP2.50
Rot. Bonds4

About N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine

N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 113445682) has the molecular formula C11H13BrClN5 and a molecular weight of 330.62 g/mol. Its IUPAC name is N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID113445682
Molecular FormulaC11H13BrClN5
Molecular Weight330.62 g/mol
Exact Mass329.00
IUPAC NameN-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1cc(Cl)c(C)cc1Br
InChIInChI=1S/C11H13BrClN5/c1-3-14-6-11-15-16-17-18(11)10-5-9(13)7(2)4-8(10)12/h4-5,14H,3,6H2,1-2H3
InChIKeyPRQNLEPANSUCRH-UHFFFAOYSA-N
XLogP2.50
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.62
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 104725249
N-[[1-(4-chloro-2-methoxy-5-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736292
N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 81275457
N-[[1-(2-bromo-4-methyl-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine
CID 104815553
N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736289
N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 55109239
1-[1-(2-bromo-5-chloro-4-methylphenyl)-5-methyltriazol-4-yl]-N-ethylethanamine
CID 104725036
N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 62809896
4-bromo-5-(5-ethyltetrazol-1-yl)-2-methylaniline
CID 104815350
N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736639
N-[[1-(2-chloro-5-nitrophenyl)tetrazol-5-yl]methyl]ethanamine
CID 62762606
N-[[1-(2,3,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 62813971

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine (CID 113445682) is N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1-c1cc(Cl)c(C)cc1Br.
What is the InChIKey of N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is PRQNLEPANSUCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN5/c1-3-14-6-11-15-16-17-18(11)10-5-9(13)7(2)4-8(10)12/h4-5,14H,3,6H2,1-2H3.
What are the key properties of N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 330.62 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 113445682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).