1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine

C16H20BrNO — CID 107577088

IUPAC1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2cc(C)c(Br)c(C)c2)o1
InChIInChI=1S/C16H20BrNO/c1-5-18-12(4)14-6-7-15(19-14)13-8-10(2)16(17)11(3)9-13/h6-9,12,18H,5H2,1-4H3
InChIKeyDATFKHRRIHAHME-UHFFFAOYSA-N
MW322.25 g/mol
LogP5.00
Rot. Bonds4

About 1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine

1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine (PubChem CID 107577088) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine
PubChem CID107577088
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2cc(C)c(Br)c(C)c2)o1
InChIInChI=1S/C16H20BrNO/c1-5-18-12(4)14-6-7-15(19-14)13-8-10(2)16(17)11(3)9-13/h6-9,12,18H,5H2,1-4H3
InChIKeyDATFKHRRIHAHME-UHFFFAOYSA-N
XLogP5.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine (CID 107577088) is 1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine is CCNC(C)c1ccc(-c2cc(C)c(Br)c(C)c2)o1.
What is the InChIKey of 1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine?
The InChIKey is DATFKHRRIHAHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-5-18-12(4)14-6-7-15(19-14)13-8-10(2)16(17)11(3)9-13/h6-9,12,18H,5H2,1-4H3.
What are the key properties of 1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine?
1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine has a molecular weight of 322.25 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine is sourced from PubChem (CID 107577088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).