1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine

C16H21NO — CID 114249001

IUPAC1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(C)o1)c1ccc(C)cc1C
InChIInChI=1S/C16H21NO/c1-10-6-7-14(12(3)8-10)16(17-5)15-9-11(2)13(4)18-15/h6-9,16-17H,1-5H3
InChIKeyWPUDAGYXYRSPRV-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.82
Rot. Bonds3

About 1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine

1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine (PubChem CID 114249001) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
PubChem CID114249001
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(C)o1)c1ccc(C)cc1C
InChIInChI=1S/C16H21NO/c1-10-6-7-14(12(3)8-10)16(17-5)15-9-11(2)13(4)18-15/h6-9,16-17H,1-5H3
InChIKeyWPUDAGYXYRSPRV-UHFFFAOYSA-N
XLogP3.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045456
1-(2,4-dimethylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990383
1-(4,5-dimethylfuran-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 114249002
4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline
CID 116952017
1-(2,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299389
1-(2,4-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858423
1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79693474
1-(2,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018513
1-(2,4-dimethylphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43482690
1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 116961880
1-(2,5-dichlorothiophen-3-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43486831
1-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43481207

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine (CID 114249001) is 1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)c(C)o1)c1ccc(C)cc1C.
What is the InChIKey of 1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
The InChIKey is WPUDAGYXYRSPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-10-6-7-14(12(3)8-10)16(17-5)15-9-11(2)13(4)18-15/h6-9,16-17H,1-5H3.
What are the key properties of 1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine?
1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 114249001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).