1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine

C15H21BrN4 — CID 107431574

IUPAC1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnn(-c2ccccc2Br)c1CC
InChIInChI=1S/C15H21BrN4/c1-4-12(17-6-3)15-13(5-2)20(19-18-15)14-10-8-7-9-11(14)16/h7-10,12,17H,4-6H2,1-3H3
InChIKeyBLMFGUBSCKMZLC-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.65
Rot. Bonds6

About 1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine

1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine (PubChem CID 107431574) has the molecular formula C15H21BrN4 and a molecular weight of 337.26 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
PubChem CID107431574
Molecular FormulaC15H21BrN4
Molecular Weight337.26 g/mol
Exact Mass336.09
IUPAC Name1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnn(-c2ccccc2Br)c1CC
InChIInChI=1S/C15H21BrN4/c1-4-12(17-6-3)15-13(5-2)20(19-18-15)14-10-8-7-9-11(14)16/h7-10,12,17H,4-6H2,1-3H3
InChIKeyBLMFGUBSCKMZLC-UHFFFAOYSA-N
XLogP3.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-chlorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431444
1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431611
1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431562
N-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine
CID 107431534
1-[1-(2,4-dibromophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431655
1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107530955
1-[1-(2-bromo-5-methylphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431748
1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine
CID 107431483
1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine
CID 107431509
1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 107431522
1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine
CID 107431443
N-[1-[1-(2-bromophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084884

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine (CID 107431574) is 1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine is CCNC(CC)c1nnn(-c2ccccc2Br)c1CC.
What is the InChIKey of 1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine?
The InChIKey is BLMFGUBSCKMZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-4-12(17-6-3)15-13(5-2)20(19-18-15)14-10-8-7-9-11(14)16/h7-10,12,17H,4-6H2,1-3H3.
What are the key properties of 1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine?
1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine has a molecular weight of 337.26 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 107431574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).