2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine

C14H16BrNO — CID 115786752

IUPAC2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
SMILESCNC(Cc1ccccc1Br)c1ccc(C)o1
InChIInChI=1S/C14H16BrNO/c1-10-7-8-14(17-10)13(16-2)9-11-5-3-4-6-12(11)15/h3-8,13,16H,9H2,1-2H3
InChIKeyKZQPSZIJLZATHA-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.85
Rot. Bonds4

About 2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine

2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 115786752) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
PubChem CID115786752
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
SMILESCNC(Cc1ccccc1Br)c1ccc(C)o1
InChIInChI=1S/C14H16BrNO/c1-10-7-8-14(17-10)13(16-2)9-11-5-3-4-6-12(11)15/h3-8,13,16H,9H2,1-2H3
InChIKeyKZQPSZIJLZATHA-UHFFFAOYSA-N
XLogP3.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 105035412
2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 60818795
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 62829674
2-(2-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylethanamine
CID 102651472
2-(2-bromophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 65105091
2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 115787187
2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115787231
N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
CID 116948630
2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745282
2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine
CID 63976182

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine (CID 115786752) is 2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine is CNC(Cc1ccccc1Br)c1ccc(C)o1.
What is the InChIKey of 2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is KZQPSZIJLZATHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-10-7-8-14(17-10)13(16-2)9-11-5-3-4-6-12(11)15/h3-8,13,16H,9H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine?
2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 294.19 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 115786752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).