1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine

C15H21BrN4 — CID 106464980

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine
SMILESCCNC(c1c(Br)nnn1C)C(CC)c1ccccc1
InChIInChI=1S/C15H21BrN4/c1-4-12(11-9-7-6-8-10-11)13(17-5-2)14-15(16)18-19-20(14)3/h6-10,12-13,17H,4-5H2,1-3H3
InChIKeyMTFZEXYWBTVLNW-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.42
Rot. Bonds6

About 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine

1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine (PubChem CID 106464980) has the molecular formula C15H21BrN4 and a molecular weight of 337.27 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine
PubChem CID106464980
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine
SMILESCCNC(c1c(Br)nnn1C)C(CC)c1ccccc1
InChIInChI=1S/C15H21BrN4/c1-4-12(11-9-7-6-8-10-11)13(17-5-2)14-15(16)18-19-20(14)3/h6-10,12-13,17H,4-5H2,1-3H3
InChIKeyMTFZEXYWBTVLNW-UHFFFAOYSA-N
XLogP3.42
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-3-methyltriazol-4-yl)-phenylmethyl]ethanamine
CID 106462129
1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine
CID 106462146
1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N-methyl-2-phenylethanamine
CID 106463054
1-(5-bromo-3-methyltriazol-4-yl)-2-(2-bromophenyl)sulfanyl-N-ethylethanamine
CID 106462592
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 106464880
N-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine
CID 103135118
1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine
CID 106465039
N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine
CID 115855374
1-(3-bromothiophen-2-yl)-N-ethyl-2-phenylbutan-1-amine
CID 80535854
N-[(5-bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methyl]ethanamine
CID 106462713
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
CID 105054099
[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105342210

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine (CID 106464980) is 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine is CCNC(c1c(Br)nnn1C)C(CC)c1ccccc1.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine?
The InChIKey is MTFZEXYWBTVLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-4-12(11-9-7-6-8-10-11)13(17-5-2)14-15(16)18-19-20(14)3/h6-10,12-13,17H,4-5H2,1-3H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine?
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine has a molecular weight of 337.27 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine is sourced from PubChem (CID 106464980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).