2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol

C13H18BrNO2 — CID 117483377

IUPAC2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol
SMILESCCc1cc(OC)c(O)c(C2(CN)CC2)c1Br
InChIInChI=1S/C13H18BrNO2/c1-3-8-6-9(17-2)12(16)10(11(8)14)13(7-15)4-5-13/h6,16H,3-5,7,15H2,1-2H3
InChIKeyWBVFMCVVYFTOTD-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.72
Rot. Bonds4

About 2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol

2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol (PubChem CID 117483377) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol
PubChem CID117483377
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol
SMILESCCc1cc(OC)c(O)c(C2(CN)CC2)c1Br
InChIInChI=1S/C13H18BrNO2/c1-3-8-6-9(17-2)12(16)10(11(8)14)13(7-15)4-5-13/h6,16H,3-5,7,15H2,1-2H3
InChIKeyWBVFMCVVYFTOTD-UHFFFAOYSA-N
XLogP2.72
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol
CID 117392546
2-[1-(aminomethyl)cyclopropyl]-4-ethyl-6-methoxyphenol
CID 117316384
3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol
CID 84710429
2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol
CID 117465351
2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid
CID 84714045
2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol
CID 117427824
2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol
CID 117392420
2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol
CID 117437146
2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol
CID 117432605
2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol
CID 117464477
2-bromo-6-ethyl-3,4-dimethoxyphenol
CID 84710445
3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol
CID 117488219

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol (CID 117483377) is 2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol is CCc1cc(OC)c(O)c(C2(CN)CC2)c1Br.
What is the InChIKey of 2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol?
The InChIKey is WBVFMCVVYFTOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-3-8-6-9(17-2)12(16)10(11(8)14)13(7-15)4-5-13/h6,16H,3-5,7,15H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol?
2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol has a molecular weight of 300.20 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol is sourced from PubChem (CID 117483377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).