1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine

C12H16BrN5 — CID 107048532

IUPAC1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1cccc(Br)c1
InChIInChI=1S/C12H16BrN5/c1-3-14-11(8-12-15-17-18(2)16-12)9-5-4-6-10(13)7-9/h4-7,11,14H,3,8H2,1-2H3
InChIKeyFZNSXAXAHCNGLJ-UHFFFAOYSA-N
MW310.20 g/mol
LogP1.87
Rot. Bonds5

About 1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine

1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107048532) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107048532
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1cccc(Br)c1
InChIInChI=1S/C12H16BrN5/c1-3-14-11(8-12-15-17-18(2)16-12)9-5-4-6-10(13)7-9/h4-7,11,14H,3,8H2,1-2H3
InChIKeyFZNSXAXAHCNGLJ-UHFFFAOYSA-N
XLogP1.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dibromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107947182
1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048405
N-[1-(3,5-dibromophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107978041
N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048347
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107996069
1-(2,3-dimethylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064894
1-(3-bromo-2-pyridinyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050879
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065389
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065425
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107996077
N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048584
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107048532) is 1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine is CCNC(Cc1nnn(C)n1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is FZNSXAXAHCNGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-3-14-11(8-12-15-17-18(2)16-12)9-5-4-6-10(13)7-9/h4-7,11,14H,3,8H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 310.20 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107048532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).