N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine

C18H25NO — CID 65152804

IUPACN-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)c1c(C)oc(C)c1C
InChIInChI=1S/C18H25NO/c1-6-19-17(11-16-9-7-8-12(2)10-16)18-13(3)14(4)20-15(18)5/h7-10,17,19H,6,11H2,1-5H3
InChIKeyFWFQGSMXUUYLTM-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.41
Rot. Bonds5

About N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine

N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (PubChem CID 65152804) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
PubChem CID65152804
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)c1c(C)oc(C)c1C
InChIInChI=1S/C18H25NO/c1-6-19-17(11-16-9-7-8-12(2)10-16)18-13(3)14(4)20-15(18)5/h7-10,17,19H,6,11H2,1-5H3
InChIKeyFWFQGSMXUUYLTM-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65152951
2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105412346
1-(5-bromofuran-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 55067944
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990255
N-ethyl-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153346
N-ethyl-1-(2-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 55025976
N-ethyl-4-phenyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 115849308
N-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 79693155
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115842305
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60798862
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
N-ethyl-2-(5-methyl-2-pyridinyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 66447725

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine (CID 65152804) is N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is CCNC(Cc1cccc(C)c1)c1c(C)oc(C)c1C.
What is the InChIKey of N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The InChIKey is FWFQGSMXUUYLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-6-19-17(11-16-9-7-8-12(2)10-16)18-13(3)14(4)20-15(18)5/h7-10,17,19H,6,11H2,1-5H3.
What are the key properties of N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine has a molecular weight of 271.40 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 65152804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).