1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine

C14H15BrN4O — CID 106465372

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCNC(c1cc2cc(C)ccc2o1)c1c(Br)nnn1C
InChIInChI=1S/C14H15BrN4O/c1-8-4-5-10-9(6-8)7-11(20-10)12(16-2)13-14(15)17-18-19(13)3/h4-7,12,16H,1-3H3
InChIKeyPOTUJYNYQNBTRV-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.94
Rot. Bonds3

About 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine

1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 106465372) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
PubChem CID106465372
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCNC(c1cc2cc(C)ccc2o1)c1c(Br)nnn1C
InChIInChI=1S/C14H15BrN4O/c1-8-4-5-10-9(6-8)7-11(20-10)12(16-2)13-14(15)17-18-19(13)3/h4-7,12,16H,1-3H3
InChIKeyPOTUJYNYQNBTRV-UHFFFAOYSA-N
XLogP2.94
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105189766
1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114730873
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 107503555
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
CID 114727848
N-[(4-bromo-1-methylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105189738
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(6-methyl-2-pyridinyl)methanamine
CID 114728572
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine
CID 105182186
[(5-bromo-3-methyltriazol-4-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 106466390
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(5-methyl-3-pyridinyl)methanamine
CID 105173880
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045169
1-(3,5-difluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114728139
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(5-methylfuran-3-yl)methanamine
CID 105045142

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine (CID 106465372) is 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine is CNC(c1cc2cc(C)ccc2o1)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is POTUJYNYQNBTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-8-4-5-10-9(6-8)7-11(20-10)12(16-2)13-14(15)17-18-19(13)3/h4-7,12,16H,1-3H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 335.21 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 106465372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).