1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine

C12H15BrN4 — CID 113374917

IUPAC1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
SMILESCC(NCCn1ccnn1)c1ccccc1Br
InChIInChI=1S/C12H15BrN4/c1-10(11-4-2-3-5-12(11)13)14-6-8-17-9-7-15-16-17/h2-5,7,9-10,14H,6,8H2,1H3
InChIKeyUMPKGTZXSNACKB-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.39
Rot. Bonds5

About 1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine

1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine (PubChem CID 113374917) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
PubChem CID113374917
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
SMILESCC(NCCn1ccnn1)c1ccccc1Br
InChIInChI=1S/C12H15BrN4/c1-10(11-4-2-3-5-12(11)13)14-6-8-17-9-7-15-16-17/h2-5,7,9-10,14H,6,8H2,1H3
InChIKeyUMPKGTZXSNACKB-UHFFFAOYSA-N
XLogP2.39
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 113374915
1-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 113374919
1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one
CID 82897398
1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 113434466
1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240469
N-[(1R)-1-(2-bromophenyl)ethyl]but-3-yn-1-amine
CID 81383342
2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide
CID 43551890
N-[(1R)-1-(2-bromophenyl)ethyl]hexan-1-amine
CID 29285129
N-[(1S)-1-(2-bromophenyl)ethyl]octan-1-amine
CID 81383416
(1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81374023
1-(2-bromo-4-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 103901299
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylbut-3-en-1-amine
CID 104926848

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine (CID 113374917) is 1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine is CC(NCCn1ccnn1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine?
The InChIKey is UMPKGTZXSNACKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-10(11-4-2-3-5-12(11)13)14-6-8-17-9-7-15-16-17/h2-5,7,9-10,14H,6,8H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine?
1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine has a molecular weight of 295.18 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 113374917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).