2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine

C13H18BrNO — CID 64986507

IUPAC2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
SMILESCOc1ccc(CC(N)C2CCC2)cc1Br
InChIInChI=1S/C13H18BrNO/c1-16-13-6-5-9(7-11(13)14)8-12(15)10-3-2-4-10/h5-7,10,12H,2-4,8,15H2,1H3
InChIKeySIVQOZOIASQNTM-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.13
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine

2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine (PubChem CID 64986507) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
PubChem CID64986507
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
SMILESCOc1ccc(CC(N)C2CCC2)cc1Br
InChIInChI=1S/C13H18BrNO/c1-16-13-6-5-9(7-11(13)14)8-12(15)10-3-2-4-10/h5-7,10,12H,2-4,8,15H2,1H3
InChIKeySIVQOZOIASQNTM-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(oxan-4-yl)ethanamine
CID 65334383
3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine
CID 113390105
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 60865346
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856
(1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine
CID 125466518
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
CID 105202342
2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol
CID 65400931
2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine
CID 69076107
2-(3-bromo-4-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 65352974
N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
CID 63417125
2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine
CID 107974001
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine (CID 64986507) is 2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine is COc1ccc(CC(N)C2CCC2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine?
The InChIKey is SIVQOZOIASQNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-16-13-6-5-9(7-11(13)14)8-12(15)10-3-2-4-10/h5-7,10,12H,2-4,8,15H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine?
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine has a molecular weight of 284.20 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine is sourced from PubChem (CID 64986507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).