[1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine

C13H18BrNO2 — CID 117483371

IUPAC[1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
SMILESCCOc1cc(OC)c(Br)cc1C1(CN)CC1
InChIInChI=1S/C13H18BrNO2/c1-3-17-11-7-12(16-2)10(14)6-9(11)13(8-15)4-5-13/h6-7H,3-5,8,15H2,1-2H3
InChIKeyDEQGVZAADVDROI-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.85
Rot. Bonds5

About [1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine

[1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine (PubChem CID 117483371) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is [1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
PubChem CID117483371
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name[1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
SMILESCCOc1cc(OC)c(Br)cc1C1(CN)CC1
InChIInChI=1S/C13H18BrNO2/c1-3-17-11-7-12(16-2)10(14)6-9(11)13(8-15)4-5-13/h6-7H,3-5,8,15H2,1-2H3
InChIKeyDEQGVZAADVDROI-UHFFFAOYSA-N
XLogP2.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine
CID 117381664
[1-(5-chloro-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
CID 117392540
[1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 117428385
2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol
CID 117432605
[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430
[1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine
CID 117343197
[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217
[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine
CID 117371857
[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117480546
[1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 117428383
3-(5-bromo-2-ethoxy-4-methoxyphenyl)butan-1-amine
CID 117486791
[1-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]cyclopropyl]methanamine
CID 117421898

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine (CID 117483371) is [1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine is CCOc1cc(OC)c(Br)cc1C1(CN)CC1.
What is the InChIKey of [1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine?
The InChIKey is DEQGVZAADVDROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-3-17-11-7-12(16-2)10(14)6-9(11)13(8-15)4-5-13/h6-7H,3-5,8,15H2,1-2H3.
What are the key properties of [1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine?
[1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine has a molecular weight of 300.20 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117483371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).