3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine

C13H18BrNO — CID 63355272

IUPAC3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine
SMILESCOc1ccc(Br)cc1CCC(N)C1CC1
InChIInChI=1S/C13H18BrNO/c1-16-13-7-5-11(14)8-10(13)4-6-12(15)9-2-3-9/h5,7-9,12H,2-4,6,15H2,1H3
InChIKeyQLEKYUPZEBDKDO-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.13
Rot. Bonds5

About 3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine

3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine (PubChem CID 63355272) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine
PubChem CID63355272
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine
SMILESCOc1ccc(Br)cc1CCC(N)C1CC1
InChIInChI=1S/C13H18BrNO/c1-16-13-7-5-11(14)8-10(13)4-6-12(15)9-2-3-9/h5,7-9,12H,2-4,6,15H2,1H3
InChIKeyQLEKYUPZEBDKDO-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423793
(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
CID 94231283
4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene
CID 64507200
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817280
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
CID 43088568
1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115816983
3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine
CID 113390105
4-bromo-2-(3-chloro-4-methoxybutyl)-1-methoxybenzene
CID 62319479
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
[2-(5-bromo-2-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210614
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224453

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine (CID 63355272) is 3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine is COc1ccc(Br)cc1CCC(N)C1CC1.
What is the InChIKey of 3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine?
The InChIKey is QLEKYUPZEBDKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-16-13-7-5-11(14)8-10(13)4-6-12(15)9-2-3-9/h5,7-9,12H,2-4,6,15H2,1H3.
What are the key properties of 3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine?
3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine has a molecular weight of 284.20 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine is sourced from PubChem (CID 63355272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).