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

C19H27NO — CID 65153377

IUPAC1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCCc1ccc(CC)c(C(NC)c2c(C)oc(C)c2C)c1
InChIInChI=1S/C19H27NO/c1-7-15-9-10-16(8-2)17(11-15)19(20-6)18-12(3)13(4)21-14(18)5/h9-11,19-20H,7-8H2,1-6H3
InChIKeyWWHURBXOGKEUSG-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.64
Rot. Bonds5

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

1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 65153377) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID65153377
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCCc1ccc(CC)c(C(NC)c2c(C)oc(C)c2C)c1
InChIInChI=1S/C19H27NO/c1-7-15-9-10-16(8-2)17(11-15)19(20-6)18-12(3)13(4)21-14(18)5/h9-11,19-20H,7-8H2,1-6H3
InChIKeyWWHURBXOGKEUSG-UHFFFAOYSA-N
XLogP4.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-diethylphenyl)-N-methylmethanamine
CID 79981150
1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151645
1-(3-chloro-4-iodophenyl)-1-(2,5-diethylphenyl)-N-methylmethanamine
CID 103220356
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105050775
N-methyl-1-(2,3,5,6-tetramethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151597
N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105018303
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
(2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095609
6-ethyl-2,3-dimethyl-1-benzofuran
CID 121007663
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
ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
CID 117345048

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of 1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine (CID 65153377) is 1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for 1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine is CCc1ccc(CC)c(C(NC)c2c(C)oc(C)c2C)c1.
What is the InChIKey of 1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is WWHURBXOGKEUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-7-15-9-10-16(8-2)17(11-15)19(20-6)18-12(3)13(4)21-14(18)5/h9-11,19-20H,7-8H2,1-6H3.
What are the key properties of 1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 285.43 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 65153377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).