1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine

C14H16BrNO — CID 105030035

IUPAC1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H16BrNO/c1-10-7-12(3-4-13(10)15)14(16-2)8-11-5-6-17-9-11/h3-7,9,14,16H,8H2,1-2H3
InChIKeyIIRRECSQJFHVHC-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.85
Rot. Bonds4

About 1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine

1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine (PubChem CID 105030035) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine
PubChem CID105030035
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1ccc(Br)c(C)c1
InChIInChI=1S/C14H16BrNO/c1-10-7-12(3-4-13(10)15)14(16-2)8-11-5-6-17-9-11/h3-7,9,14,16H,8H2,1-2H3
InChIKeyIIRRECSQJFHVHC-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

1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83176188
[1-(3,4-dimethylphenyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105331703
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105029864
1-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115865010
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(furan-3-yl)ethanamine
CID 83174718
1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine
CID 105030051
N-[1-(4-bromo-3-chlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030232
N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029948
2-(furan-3-yl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 83175534
2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 105029850
1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine
CID 107968943
2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 105030112

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine (CID 105030035) is 1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine is CNC(Cc1ccoc1)c1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine?
The InChIKey is IIRRECSQJFHVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-10-7-12(3-4-13(10)15)14(16-2)8-11-5-6-17-9-11/h3-7,9,14,16H,8H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine?
1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine 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 1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine is sourced from PubChem (CID 105030035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).