N-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine

C19H27NO — CID 65151597

IUPACN-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCNC(c1c(C)oc(C)c1C)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C19H27NO/c1-10-9-11(2)13(4)17(12(10)3)19(20-8)18-14(5)15(6)21-16(18)7/h9,19-20H,1-8H3
InChIKeyVVFCALKZXVNDGU-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.75
Rot. Bonds3

About N-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine

N-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 65151597) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID65151597
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCNC(c1c(C)oc(C)c1C)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C19H27NO/c1-10-9-11(2)13(4)17(12(10)3)19(20-8)18-14(5)15(6)21-16(18)7/h9,19-20H,1-8H3
InChIKeyVVFCALKZXVNDGU-UHFFFAOYSA-N
XLogP4.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.75
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-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65153328
N-methyl-1-(5-nitrofuran-2-yl)-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 43483960
1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65153377
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 80528964
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105050775
1-(5-bromo-2-methylphenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 65308185
N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105018303
1-(4-cyclobutylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105044978
1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151645
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115858110
1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151844

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of N-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine (CID 65151597) is N-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine is CNC(c1c(C)oc(C)c1C)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is VVFCALKZXVNDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-10-9-11(2)13(4)17(12(10)3)19(20-8)18-14(5)15(6)21-16(18)7/h9,19-20H,1-8H3.
What are the key properties of N-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine?
N-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 285.43 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 65151597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).