1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine

C13H18BrNO — CID 82976387

IUPAC1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1OC1CCC1
InChIInChI=1S/C13H18BrNO/c1-9(15-2)12-8-10(14)6-7-13(12)16-11-4-3-5-11/h6-9,11,15H,3-5H2,1-2H3
InChIKeyCYXVRRXIYGMJRL-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.66
Rot. Bonds4

About 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine

1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine (PubChem CID 82976387) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine
PubChem CID82976387
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1OC1CCC1
InChIInChI=1S/C13H18BrNO/c1-9(15-2)12-8-10(14)6-7-13(12)16-11-4-3-5-11/h6-9,11,15H,3-5H2,1-2H3
InChIKeyCYXVRRXIYGMJRL-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine
CID 82926596
2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol
CID 62368559
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
1-[4-bromo-2-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 107134569
3-(5-bromo-2-cyclobutyloxyphenyl)butanal
CID 117478597
1-(2-cyclohexyloxyphenyl)-N-methylethanamine
CID 43279544
4-(4-bromo-2-propan-2-ylphenoxy)azepane
CID 113303037
(1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol
CID 78958654
1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine
CID 107134357
3-(4-bromo-2-propan-2-ylphenoxy)-N-methylcyclobutan-1-amine
CID 115403052
1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol
CID 117460897

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine (CID 82976387) is 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine is CNC(C)c1cc(Br)ccc1OC1CCC1.
What is the InChIKey of 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine?
The InChIKey is CYXVRRXIYGMJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(15-2)12-8-10(14)6-7-13(12)16-11-4-3-5-11/h6-9,11,15H,3-5H2,1-2H3.
What are the key properties of 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine?
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine has a molecular weight of 284.20 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine is sourced from PubChem (CID 82976387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).