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

C19H27NO — CID 65152951

IUPAC2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCCNC(Cc1ccc(C)c(C)c1)c1c(C)oc(C)c1C
InChIInChI=1S/C19H27NO/c1-7-20-18(19-14(4)15(5)21-16(19)6)11-17-9-8-12(2)13(3)10-17/h8-10,18,20H,7,11H2,1-6H3
InChIKeyROKIPJVHNLIDRY-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.72
Rot. Bonds5

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

2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine (PubChem CID 65152951) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
PubChem CID65152951
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
SMILESCCNC(Cc1ccc(C)c(C)c1)c1c(C)oc(C)c1C
InChIInChI=1S/C19H27NO/c1-7-20-18(19-14(4)15(5)21-16(19)6)11-17-9-8-12(2)13(3)10-17/h8-10,18,20H,7,11H2,1-6H3
InChIKeyROKIPJVHNLIDRY-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65152804
2-(3,5-difluorophenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105412346
N-ethyl-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153346
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115842305
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63411934
2-(3,4-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 81156303
2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963537
2-(3,4-dimethylphenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63420060
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273352
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115822095
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414289
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 2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine (CID 65152951) is 2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine is CCNC(Cc1ccc(C)c(C)c1)c1c(C)oc(C)c1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
The InChIKey is ROKIPJVHNLIDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-7-20-18(19-14(4)15(5)21-16(19)6)11-17-9-8-12(2)13(3)10-17/h8-10,18,20H,7,11H2,1-6H3.
What are the key properties of 2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine?
2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine has a molecular weight of 285.43 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 65152951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).