2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine

C14H20BrNO — CID 103273796

IUPAC2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine
SMILESCNCCC1(Oc2ccc(C)cc2Br)CCC1
InChIInChI=1S/C14H20BrNO/c1-11-4-5-13(12(15)10-11)17-14(6-3-7-14)8-9-16-2/h4-5,10,16H,3,6-9H2,1-2H3
InChIKeyGFLNAYOOMISLFR-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.67
Rot. Bonds5

About 2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine

2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine (PubChem CID 103273796) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine
PubChem CID103273796
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine
SMILESCNCCC1(Oc2ccc(C)cc2Br)CCC1
InChIInChI=1S/C14H20BrNO/c1-11-4-5-13(12(15)10-11)17-14(6-3-7-14)8-9-16-2/h4-5,10,16H,3,6-9H2,1-2H3
InChIKeyGFLNAYOOMISLFR-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273603
N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103274444
2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene
CID 126974013
2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103274512
2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine
CID 103273499
2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 107726464
2-[1-(3,4-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273611
N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103273497
2-[1-(2-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103273573
2-[1-(2-bromophenoxy)cyclobutyl]-N-ethylethanamine
CID 103273382
2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273871
N-[2-[1-(2-chloro-5-methylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273857

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine?
The IUPAC name of 2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine (CID 103273796) is 2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine?
The canonical SMILES for 2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine is CNCCC1(Oc2ccc(C)cc2Br)CCC1.
What is the InChIKey of 2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine?
The InChIKey is GFLNAYOOMISLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-11-4-5-13(12(15)10-11)17-14(6-3-7-14)8-9-16-2/h4-5,10,16H,3,6-9H2,1-2H3.
What are the key properties of 2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine?
2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine is sourced from PubChem (CID 103273796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).