3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol

C12H16BrNO — CID 117428377

IUPAC3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol
SMILESCc1cc(Br)c(C2(CN)CC2)c(C)c1O
InChIInChI=1S/C12H16BrNO/c1-7-5-9(13)10(8(2)11(7)15)12(6-14)3-4-12/h5,15H,3-4,6,14H2,1-2H3
InChIKeyIYOXCUCVNRQFQE-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.76
Rot. Bonds2

About 3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol

3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol (PubChem CID 117428377) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol
PubChem CID117428377
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol
SMILESCc1cc(Br)c(C2(CN)CC2)c(C)c1O
InChIInChI=1S/C12H16BrNO/c1-7-5-9(13)10(8(2)11(7)15)12(6-14)3-4-12/h5,15H,3-4,6,14H2,1-2H3
InChIKeyIYOXCUCVNRQFQE-UHFFFAOYSA-N
XLogP2.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine
CID 117388160
[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 117497424
2-[1-(aminomethyl)cyclopropyl]-4-bromo-3,5,6-trimethylphenol
CID 117112194
2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol
CID 117480430
4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol
CID 117113307
1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117498418
2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol
CID 117497403
[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497539
4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol
CID 117113435
2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol
CID 84793301
2-[1-(4-bromo-2-hydroxy-3,6-dimethylphenyl)cyclopropyl]acetic acid
CID 84816126
3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol
CID 117398513

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol?
The IUPAC name of 3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol (CID 117428377) is 3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol.
What is the SMILES notation for 3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol?
The canonical SMILES for 3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol is Cc1cc(Br)c(C2(CN)CC2)c(C)c1O.
What is the InChIKey of 3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol?
The InChIKey is IYOXCUCVNRQFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-7-5-9(13)10(8(2)11(7)15)12(6-14)3-4-12/h5,15H,3-4,6,14H2,1-2H3.
What are the key properties of 3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol?
3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol has a molecular weight of 270.17 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol is sourced from PubChem (CID 117428377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).