2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine

C14H20BrNO — CID 103273382

IUPAC2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine
SMILESCCNCCC1(Oc2ccccc2Br)CCC1
InChIInChI=1S/C14H20BrNO/c1-2-16-11-10-14(8-5-9-14)17-13-7-4-3-6-12(13)15/h3-4,6-7,16H,2,5,8-11H2,1H3
InChIKeyIDBJOZKXWQKTLV-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.75
Rot. Bonds6

About 2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine

2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine (PubChem CID 103273382) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine
PubChem CID103273382
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine
SMILESCCNCCC1(Oc2ccccc2Br)CCC1
InChIInChI=1S/C14H20BrNO/c1-2-16-11-10-14(8-5-9-14)17-13-7-4-3-6-12(13)15/h3-4,6-7,16H,2,5,8-11H2,1H3
InChIKeyIDBJOZKXWQKTLV-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine?
The IUPAC name of 2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine (CID 103273382) is 2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine.
What is the SMILES notation for 2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine?
The canonical SMILES for 2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine is CCNCCC1(Oc2ccccc2Br)CCC1.
What is the InChIKey of 2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine?
The InChIKey is IDBJOZKXWQKTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-2-16-11-10-14(8-5-9-14)17-13-7-4-3-6-12(13)15/h3-4,6-7,16H,2,5,8-11H2,1H3.
What are the key properties of 2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine?
2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine is sourced from PubChem (CID 103273382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).