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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Related Compounds

2-[1-(2,5-dibromo-4-methoxyphenoxy)cyclobutyl]-N-ethylethanamine
CID 103274245
N-ethyl-2-[1-(2,4,5-trichlorophenoxy)cyclobutyl]ethanamine
CID 103273417
2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine
CID 103273499
2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273871
N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273476
N-ethyl-2-[1-(3-iodophenoxy)cyclobutyl]ethanamine
CID 103273839
2-[1-(2-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103273573
N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103274444
2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273796
N-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine
CID 103274312
N-[2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 103274063
2-methyl-N-[2-[1-[(2-methyl-3-pyridinyl)oxy]cyclobutyl]ethyl]propan-2-amine
CID 103274267

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).