1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine

C12H16BrNO — CID 83844871

IUPAC1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine
SMILESCOc1ccc(Br)cc1C(C)(N)C1CC1
InChIInChI=1S/C12H16BrNO/c1-12(14,8-3-4-8)10-7-9(13)5-6-11(10)15-2/h5-8H,3-4,14H2,1-2H3
InChIKeyRLAPAUYITCPKIX-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.04
Rot. Bonds3

About 1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine

1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine (PubChem CID 83844871) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine
PubChem CID83844871
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine
SMILESCOc1ccc(Br)cc1C(C)(N)C1CC1
InChIInChI=1S/C12H16BrNO/c1-12(14,8-3-4-8)10-7-9(13)5-6-11(10)15-2/h5-8H,3-4,14H2,1-2H3
InChIKeyRLAPAUYITCPKIX-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 82239533
4-bromo-2-(2-fluoropropan-2-yl)-1-methoxybenzene
CID 84706055
1-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanol
CID 82309039
(2S)-1-amino-2-(5-bromo-2-methoxyphenyl)propan-2-ol
CID 93189117
1-cycloheptyl-1-(2-methoxyphenyl)ethanamine
CID 82932355
3-(5-bromo-2-methoxyphenyl)-3-methylbutan-2-one
CID 82306037
3-amino-2-(5-bromo-2-methoxyphenyl)-2-methylpropan-1-ol
CID 82306729
3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151485
4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene
CID 83151167
1-[[[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257132
2-(4-bromo-2-methoxyphenyl)butan-2-amine
CID 130134221
2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid
CID 3917542

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine (CID 83844871) is 1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine is COc1ccc(Br)cc1C(C)(N)C1CC1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine?
The InChIKey is RLAPAUYITCPKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(14,8-3-4-8)10-7-9(13)5-6-11(10)15-2/h5-8H,3-4,14H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine?
1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine has a molecular weight of 270.17 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-1-cyclopropylethanamine is sourced from PubChem (CID 83844871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).