2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine

C12H16BrNO — CID 82093055

IUPAC2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine
SMILESCOc1ccc(C(CN)C2CC2)cc1Br
InChIInChI=1S/C12H16BrNO/c1-15-12-5-4-9(6-11(12)13)10(7-14)8-2-3-8/h4-6,8,10H,2-3,7,14H2,1H3
InChIKeyFUHQELZOECMIFK-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.91
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine

2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine (PubChem CID 82093055) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine
PubChem CID82093055
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine
SMILESCOc1ccc(C(CN)C2CC2)cc1Br
InChIInChI=1S/C12H16BrNO/c1-15-12-5-4-9(6-11(12)13)10(7-14)8-2-3-8/h4-6,8,10H,2-3,7,14H2,1H3
InChIKeyFUHQELZOECMIFK-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene
CID 82094244
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103531609
(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine
CID 29010450
(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749368
2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 83973600
2-(3-bromo-4-methoxyphenyl)-2-ethoxyethanamine
CID 66072986
[bromo-(3-bromo-4-methoxyphenyl)methyl]cycloheptane
CID 63435662
(3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308332
1-(3-bromo-4-methoxyphenyl)-N-(cyclopentylmethyl)-N-methylethane-1,2-diamine
CID 63631391
(1S,2S)-1-(3-bromo-4-methoxyphenyl)propane-1,2-diamine
CID 131002328
(1R)-1-(3-bromo-4-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171205900

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine (CID 82093055) is 2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine is COc1ccc(C(CN)C2CC2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine?
The InChIKey is FUHQELZOECMIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-15-12-5-4-9(6-11(12)13)10(7-14)8-2-3-8/h4-6,8,10H,2-3,7,14H2,1H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine?
2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine has a molecular weight of 270.17 g/mol, XLogP of 2.91, 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)-2-cyclopropylethanamine is sourced from PubChem (CID 82093055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).