1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine

C13H16BrNO2 — CID 84815906

IUPAC1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1cc(C2(N)CC2)cc(Br)c1OC1CC1
InChIInChI=1S/C13H16BrNO2/c1-16-11-7-8(13(15)4-5-13)6-10(14)12(11)17-9-2-3-9/h6-7,9H,2-5,15H2,1H3
InChIKeyOQWSWLMVUFCWGR-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.95
Rot. Bonds4

About 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine

1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine (PubChem CID 84815906) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine
PubChem CID84815906
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1cc(C2(N)CC2)cc(Br)c1OC1CC1
InChIInChI=1S/C13H16BrNO2/c1-16-11-7-8(13(15)4-5-13)6-10(14)12(11)17-9-2-3-9/h6-7,9H,2-5,15H2,1H3
InChIKeyOQWSWLMVUFCWGR-UHFFFAOYSA-N
XLogP2.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4,5-dimethoxyphenyl)cyclopropan-1-amine
CID 84809517
1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine
CID 117483760
1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117499870
1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)cyclopropan-1-amine
CID 117495098
1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)cyclopropan-1-amine
CID 84812298
1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine
CID 117499479
1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine
CID 84801514
1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117499689
2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine
CID 117483716
4-(3,4,5-trimethoxyphenyl)oxan-4-amine
CID 82304818
[1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 117497040

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine (CID 84815906) is 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine is COc1cc(C2(N)CC2)cc(Br)c1OC1CC1.
What is the InChIKey of 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine?
The InChIKey is OQWSWLMVUFCWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-16-11-7-8(13(15)4-5-13)6-10(14)12(11)17-9-2-3-9/h6-7,9H,2-5,15H2,1H3.
What are the key properties of 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine?
1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine has a molecular weight of 298.18 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84815906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).