2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol

C11H14BrNO2 — CID 117432605

IUPAC2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol
SMILESCOc1cc(O)c(C2(CN)CC2)cc1Br
InChIInChI=1S/C11H14BrNO2/c1-15-10-5-9(14)7(4-8(10)12)11(6-13)2-3-11/h4-5,14H,2-3,6,13H2,1H3
InChIKeyRTUOXAUBNYEIGH-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.15
Rot. Bonds3

About 2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol

2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol (PubChem CID 117432605) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol
PubChem CID117432605
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol
SMILESCOc1cc(O)c(C2(CN)CC2)cc1Br
InChIInChI=1S/C11H14BrNO2/c1-15-10-5-9(14)7(4-8(10)12)11(6-13)2-3-11/h4-5,14H,2-3,6,13H2,1H3
InChIKeyRTUOXAUBNYEIGH-UHFFFAOYSA-N
XLogP2.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-bromo-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 117428385
[1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
CID 117483371
2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
CID 117377399
2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol
CID 117392957
[1-(3-bromo-5-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 117428383
2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol
CID 117316384
[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117480546
5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol
CID 84791834
2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol
CID 117483377
3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol
CID 117461184
4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol
CID 117343193
2-(3-aminopropyl)-4-bromo-5-methoxyphenol
CID 117403912

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol (CID 117432605) is 2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol is COc1cc(O)c(C2(CN)CC2)cc1Br.
What is the InChIKey of 2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol?
The InChIKey is RTUOXAUBNYEIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-15-10-5-9(14)7(4-8(10)12)11(6-13)2-3-11/h4-5,14H,2-3,6,13H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol?
2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol has a molecular weight of 272.14 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol is sourced from PubChem (CID 117432605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).