N-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine

C14H15BrN4O — CID 105184686

IUPACN-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(Br)c2o1)c1cnnn1C
InChIInChI=1S/C14H15BrN4O/c1-3-16-13(11-8-17-18-19(11)2)12-7-9-5-4-6-10(15)14(9)20-12/h4-8,13,16H,3H2,1-2H3
InChIKeyFQSPPAZKGUIKDR-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.02
Rot. Bonds4

About N-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine

N-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 105184686) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is N-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID105184686
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC NameN-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(Br)c2o1)c1cnnn1C
InChIInChI=1S/C14H15BrN4O/c1-3-16-13(11-8-17-18-19(11)2)12-7-9-5-4-6-10(15)14(9)20-12/h4-8,13,16H,3H2,1-2H3
InChIKeyFQSPPAZKGUIKDR-UHFFFAOYSA-N
XLogP3.02
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043781
N-[(2-bromo-5-methylphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043552
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864
N-[(3-bromo-2-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114730903
N-[(3-bromothiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043665
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 114730743
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105175123
N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043570
1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 105109370
[(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288494
1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine
CID 105149223
N-[(5-bromo-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043393

Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine (CID 105184686) is N-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine is CCNC(c1cc2cccc(Br)c2o1)c1cnnn1C.
What is the InChIKey of N-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is FQSPPAZKGUIKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-3-16-13(11-8-17-18-19(11)2)12-7-9-5-4-6-10(15)14(9)20-12/h4-8,13,16H,3H2,1-2H3.
What are the key properties of N-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine?
N-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 335.21 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105184686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).