N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine

C16H20BrNO — CID 107982004

IUPACN-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)oc1C)c1cccc(C)c1Br
InChIInChI=1S/C16H20BrNO/c1-5-18-16(14-9-11(3)19-12(14)4)13-8-6-7-10(2)15(13)17/h6-9,16,18H,5H2,1-4H3
InChIKeyJCTQEOANKHYDTN-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.67
Rot. Bonds4

About N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine

N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine (PubChem CID 107982004) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
PubChem CID107982004
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC NameN-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)oc1C)c1cccc(C)c1Br
InChIInChI=1S/C16H20BrNO/c1-5-18-16(14-9-11(3)19-12(14)4)13-8-6-7-10(2)15(13)17/h6-9,16,18H,5H2,1-4H3
InChIKeyJCTQEOANKHYDTN-UHFFFAOYSA-N
XLogP4.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81477159
N-[(2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methyl]ethanamine
CID 107982055
N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine
CID 107984777
N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 107984980
N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102842041
N-[(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 107985492
N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 107982128
[(2,5-dimethylfuran-3-yl)-(2,3-dimethylphenyl)methyl]hydrazine
CID 105300529
N-[(2-bromo-3-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 107982142
N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107985285
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-2,5-dimethylphenyl)methyl]ethanamine
CID 105032873
1-(2-bromo-3-methylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 107984697

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine (CID 107982004) is N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine is CCNC(c1cc(C)oc1C)c1cccc(C)c1Br.
What is the InChIKey of N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine?
The InChIKey is JCTQEOANKHYDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-5-18-16(14-9-11(3)19-12(14)4)13-8-6-7-10(2)15(13)17/h6-9,16,18H,5H2,1-4H3.
What are the key properties of N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine?
N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine has a molecular weight of 322.25 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 107982004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).