4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline

C14H16BrNO — CID 54863650

IUPAC4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCc1ccc(CNc2c(C)cc(Br)cc2C)o1
InChIInChI=1S/C14H16BrNO/c1-9-6-12(15)7-10(2)14(9)16-8-13-5-4-11(3)17-13/h4-7,16H,8H2,1-3H3
InChIKeyWLBDTXQMDSGNIW-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.58
Rot. Bonds3

About 4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline

4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline (PubChem CID 54863650) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
PubChem CID54863650
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCc1ccc(CNc2c(C)cc(Br)cc2C)o1
InChIInChI=1S/C14H16BrNO/c1-9-6-12(15)7-10(2)14(9)16-8-13-5-4-11(3)17-13/h4-7,16H,8H2,1-3H3
InChIKeyWLBDTXQMDSGNIW-UHFFFAOYSA-N
XLogP4.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-bromo-2,6-dimethylanilino)methyl]furan-2-carboxylic acid
CID 55205653
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
5-bromo-4-N-[(5-methylfuran-2-yl)methyl]pyridine-3,4-diamine
CID 103518052
3-[(5-methylfuran-2-yl)methylamino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
CID 20921748
4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline
CID 63449116
4-bromo-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 54863710
4-[(4-bromo-2,6-dimethylanilino)methyl]-2,6-dimethylphenol
CID 63449025
4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 63449338
5-bromo-6-chloro-N-[(5-methylfuran-2-yl)methyl]pyridin-3-amine
CID 103930537
2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522523
4-bromo-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
CID 79399146
4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline
CID 43646117

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline (CID 54863650) is 4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline is Cc1ccc(CNc2c(C)cc(Br)cc2C)o1.
What is the InChIKey of 4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The InChIKey is WLBDTXQMDSGNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-9-6-12(15)7-10(2)14(9)16-8-13-5-4-11(3)17-13/h4-7,16H,8H2,1-3H3.
What are the key properties of 4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline?
4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline has a molecular weight of 294.19 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 54863650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).