N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine

C11H14BrN3O — CID 106855833

IUPACN-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1Br)c1nccn1C
InChIInChI=1S/C11H14BrN3O/c1-3-13-9(8-4-7-16-10(8)12)11-14-5-6-15(11)2/h4-7,9,13H,3H2,1-2H3
InChIKeyLCMDCEIIXJYFTH-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.47
Rot. Bonds4

About N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine

N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 106855833) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID106855833
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC NameN-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1Br)c1nccn1C
InChIInChI=1S/C11H14BrN3O/c1-3-13-9(8-4-7-16-10(8)12)11-14-5-6-15(11)2/h4-7,9,13H,3H2,1-2H3
InChIKeyLCMDCEIIXJYFTH-UHFFFAOYSA-N
XLogP2.47
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 114022999
N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 106689411
N-[(2-chloro-3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 81462073
N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 79808147
N-[(2-fluoro-5-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 62508943
N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82890952
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 105395359
N-[(2-bromofuran-3-yl)-(4-bromonaphthalen-1-yl)methyl]ethanamine
CID 106851857
N-[1-benzofuran-2-yl-(1-methylimidazol-2-yl)methyl]ethanamine
CID 63977090
N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 61315945
N-[(5-fluoro-2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82769072

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine (CID 106855833) is N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine is CCNC(c1ccoc1Br)c1nccn1C.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is LCMDCEIIXJYFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-3-13-9(8-4-7-16-10(8)12)11-14-5-6-15(11)2/h4-7,9,13H,3H2,1-2H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine?
N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 284.16 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 106855833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).