1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine

C14H16BrNO — CID 62500358

IUPAC1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccccc2Br)o1
InChIInChI=1S/C14H16BrNO/c1-3-16-10(2)13-8-9-14(17-13)11-6-4-5-7-12(11)15/h4-10,16H,3H2,1-2H3
InChIKeyCEDGPEYAWDQNDM-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.38
Rot. Bonds4

About 1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine

1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine (PubChem CID 62500358) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine
PubChem CID62500358
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccccc2Br)o1
InChIInChI=1S/C14H16BrNO/c1-3-16-10(2)13-8-9-14(17-13)11-6-4-5-7-12(11)15/h4-10,16H,3H2,1-2H3
InChIKeyCEDGPEYAWDQNDM-UHFFFAOYSA-N
XLogP4.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine (CID 62500358) is 1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine is CCNC(C)c1ccc(-c2ccccc2Br)o1.
What is the InChIKey of 1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine?
The InChIKey is CEDGPEYAWDQNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-3-16-10(2)13-8-9-14(17-13)11-6-4-5-7-12(11)15/h4-10,16H,3H2,1-2H3.
What are the key properties of 1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine?
1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine has a molecular weight of 294.19 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromophenyl)furan-2-yl]-N-ethylethanamine is sourced from PubChem (CID 62500358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).