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

C18H25NO — CID 105030207

IUPAC1-(4-tert-butylphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccoc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H25NO/c1-5-19-17(12-14-10-11-20-13-14)15-6-8-16(9-7-15)18(2,3)4/h6-11,13,17,19H,5,12H2,1-4H3
InChIKeyJBAYIHXXENPXII-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.47
Rot. Bonds5

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

1-(4-tert-butylphenyl)-N-ethyl-2-(furan-3-yl)ethanamine (PubChem CID 105030207) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-ethyl-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
PubChem CID105030207
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(4-tert-butylphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccoc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H25NO/c1-5-19-17(12-14-10-11-20-13-14)15-6-8-16(9-7-15)18(2,3)4/h6-11,13,17,19H,5,12H2,1-4H3
InChIKeyJBAYIHXXENPXII-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-fluorophenyl)-2-(furan-3-yl)ethanamine
CID 83174702
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(furan-3-yl)ethanamine
CID 83174718
2-(4-tert-butylphenyl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 115842885
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine
CID 83182969
1-(4-tert-butylphenyl)-N-(furan-3-ylmethyl)ethanamine
CID 55180294
1-(5-bromo-3-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83183662
N-ethyl-2-(furan-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105177738
N-ethyl-2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanamine
CID 105029983
1-(3-ethoxyphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83175084
1-(2,6-difluorophenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83182160
N-ethyl-2-(furan-3-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104805287
N-ethyl-1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanamine
CID 105029929

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-ethyl-2-(furan-3-yl)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-ethyl-2-(furan-3-yl)ethanamine (CID 105030207) is 1-(4-tert-butylphenyl)-N-ethyl-2-(furan-3-yl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-ethyl-2-(furan-3-yl)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-ethyl-2-(furan-3-yl)ethanamine is CCNC(Cc1ccoc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-ethyl-2-(furan-3-yl)ethanamine?
The InChIKey is JBAYIHXXENPXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-5-19-17(12-14-10-11-20-13-14)15-6-8-16(9-7-15)18(2,3)4/h6-11,13,17,19H,5,12H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-ethyl-2-(furan-3-yl)ethanamine?
1-(4-tert-butylphenyl)-N-ethyl-2-(furan-3-yl)ethanamine has a molecular weight of 271.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-ethyl-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 105030207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).