N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine

C18H25NO2 — CID 105018303

IUPACN-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCNC(c1ccccc1OC(C)C)c1c(C)oc(C)c1C
InChIInChI=1S/C18H25NO2/c1-11(2)20-16-10-8-7-9-15(16)18(19-6)17-12(3)13(4)21-14(17)5/h7-11,18-19H,1-6H3
InChIKeySHEJDLVQSWZGOF-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.30
Rot. Bonds5

About N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine

N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 105018303) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID105018303
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCNC(c1ccccc1OC(C)C)c1c(C)oc(C)c1C
InChIInChI=1S/C18H25NO2/c1-11(2)20-16-10-8-7-9-15(16)18(19-6)17-12(3)13(4)21-14(17)5/h7-11,18-19H,1-6H3
InChIKeySHEJDLVQSWZGOF-UHFFFAOYSA-N
XLogP4.30
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 107976659
[(2,5-dimethylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326122
1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115853114
1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151844
1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018419
1-(3-bromothiophen-2-yl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018139
1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65153377
1-(4,5-dimethylfuran-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 114249002
N-[(5-chlorofuran-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 106692741
N-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151597
[(2-fluorophenyl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 105216890
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018242

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine (CID 105018303) is N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine is CNC(c1ccccc1OC(C)C)c1c(C)oc(C)c1C.
What is the InChIKey of N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is SHEJDLVQSWZGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-11(2)20-16-10-8-7-9-15(16)18(19-6)17-12(3)13(4)21-14(17)5/h7-11,18-19H,1-6H3.
What are the key properties of N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine?
N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 287.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 105018303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).