N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine

C16H21NO — CID 43484197

IUPACN-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1ccoc1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H21NO/c1-10-8-11(2)15(12(3)9-10)16(17-5)14-6-7-18-13(14)4/h6-9,16-17H,1-5H3
InChIKeyOLJYDHXNKWOUAF-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.82
Rot. Bonds3

About N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine

N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine (PubChem CID 43484197) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
PubChem CID43484197
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1ccoc1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H21NO/c1-10-8-11(2)15(12(3)9-10)16(17-5)14-6-7-18-13(14)4/h6-9,16-17H,1-5H3
InChIKeyOLJYDHXNKWOUAF-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

N-methyl-1-(2-methylfuran-3-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 43483972
1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113453366
[(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methyl]hydrazine
CID 106884428
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113319429
N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine
CID 43482991
N-methyl-1-(2,4,5-trimethylphenyl)-1-(2,4,6-trimethylphenyl)methanamine
CID 104990389
(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine
CID 106881970
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 81477388
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine
CID 114730952
1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 43484074
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 43486875
N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104789859

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine (CID 43484197) is N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine is CNC(c1ccoc1C)c1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is OLJYDHXNKWOUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-10-8-11(2)15(12(3)9-10)16(17-5)14-6-7-18-13(14)4/h6-9,16-17H,1-5H3.
What are the key properties of N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine?
N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine 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 N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 43484197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).