N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine

C15H15BrN4O — CID 106858669

IUPACN-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1Br)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H15BrN4O/c1-2-17-14(12-8-9-21-15(12)16)13-10-18-19-20(13)11-6-4-3-5-7-11/h3-10,14,17H,2H2,1H3
InChIKeyGIKWFJFWIVKIIF-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.32
Rot. Bonds5

About N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine

N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine (PubChem CID 106858669) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
PubChem CID106858669
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC NameN-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1Br)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H15BrN4O/c1-2-17-14(12-8-9-21-15(12)16)13-10-18-19-20(13)11-6-4-3-5-7-11/h3-10,14,17H,2H2,1H3
InChIKeyGIKWFJFWIVKIIF-UHFFFAOYSA-N
XLogP3.32
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromofuran-2-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 105043281
N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923869
N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114687984
N-[(5-iodothiophen-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 105043247
N-[(3-phenyltriazol-4-yl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105184404
N-ethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687204
1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
CID 114687548
N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687752
N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114688705
N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine
CID 106851857
N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine
CID 106858285
N-[(2-bromofuran-3-yl)-quinolin-5-ylmethyl]ethanamine
CID 106858308

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine (CID 106858669) is N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine is CCNC(c1ccoc1Br)c1cnnn1-c1ccccc1.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine?
The InChIKey is GIKWFJFWIVKIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-2-17-14(12-8-9-21-15(12)16)13-10-18-19-20(13)11-6-4-3-5-7-11/h3-10,14,17H,2H2,1H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine?
N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine has a molecular weight of 347.22 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 106858669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).