2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine

C19H27NO — CID 115842885

IUPAC2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1ccc(C(C)(C)C)cc1)c1coc(C)c1
InChIInChI=1S/C19H27NO/c1-6-20-18(16-11-14(2)21-13-16)12-15-7-9-17(10-8-15)19(3,4)5/h7-11,13,18,20H,6,12H2,1-5H3
InChIKeyXEZSSXLSNCUUQE-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.78
Rot. Bonds5

About 2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine

2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine (PubChem CID 115842885) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
PubChem CID115842885
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1ccc(C(C)(C)C)cc1)c1coc(C)c1
InChIInChI=1S/C19H27NO/c1-6-20-18(16-11-14(2)21-13-16)12-15-7-9-17(10-8-15)19(3,4)5/h7-11,13,18,20H,6,12H2,1-5H3
InChIKeyXEZSSXLSNCUUQE-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
CID 114821235
N-ethyl-1-(5-methylfuran-3-yl)propan-1-amine
CID 114979725
N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821262
1-(4-tert-butylphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105030207
N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 114821279
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115841690
N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844127
N-ethyl-1-(5-methylfuran-3-yl)pent-4-yn-1-amine
CID 115859443
N-[2-(3,4-difluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821327
N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821315
2-ethoxy-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 105008082
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115840534

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine (CID 115842885) is 2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine is CCNC(Cc1ccc(C(C)(C)C)cc1)c1coc(C)c1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine?
The InChIKey is XEZSSXLSNCUUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-6-20-18(16-11-14(2)21-13-16)12-15-7-9-17(10-8-15)19(3,4)5/h7-11,13,18,20H,6,12H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine?
2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine has a molecular weight of 285.43 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 115842885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).