1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine

C15H21BrN4 — CID 106465039

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine
SMILESCCC(C)C(c1ccccc1)C(N)c1c(Br)nnn1C
InChIInChI=1S/C15H21BrN4/c1-4-10(2)12(11-8-6-5-7-9-11)13(17)14-15(16)18-19-20(14)3/h5-10,12-13H,4,17H2,1-3H3
InChIKeyOYVSGHUYBDZORE-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.41
Rot. Bonds5

About 1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine

1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine (PubChem CID 106465039) 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)-3-methyl-2-phenylpentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine
PubChem CID106465039
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine
SMILESCCC(C)C(c1ccccc1)C(N)c1c(Br)nnn1C
InChIInChI=1S/C15H21BrN4/c1-4-10(2)12(11-8-6-5-7-9-11)13(17)14-15(16)18-19-20(14)3/h5-10,12-13H,4,17H2,1-3H3
InChIKeyOYVSGHUYBDZORE-UHFFFAOYSA-N
XLogP3.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine
CID 106462416
N-[(5-bromo-3-methyltriazol-4-yl)-phenylmethyl]ethanamine
CID 106462129
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-phenylbutan-1-amine
CID 106464980
3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-amine
CID 115580068
1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxyethanamine
CID 106462551
1-(2,6-difluorophenyl)-3-methyl-2-phenylpentan-1-amine
CID 115859848
1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine
CID 115828079
1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N-methyl-2-phenylethanamine
CID 106463054
1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol
CID 106461231
1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine
CID 106462704
methyl 2-(5-bromo-3-methyltriazol-4-yl)butanoate
CID 106463370
(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine
CID 106465277

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine (CID 106465039) is 1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine is CCC(C)C(c1ccccc1)C(N)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine?
The InChIKey is OYVSGHUYBDZORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-4-10(2)12(11-8-6-5-7-9-11)13(17)14-15(16)18-19-20(14)3/h5-10,12-13H,4,17H2,1-3H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine?
1-(5-bromo-3-methyltriazol-4-yl)-3-methyl-2-phenylpentan-1-amine has a molecular weight of 337.27 g/mol, XLogP of 3.41, 5 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)-3-methyl-2-phenylpentan-1-amine is sourced from PubChem (CID 106465039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).