3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol

C11H14BrNO2 — CID 117432726

IUPAC3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol
SMILESCOc1c(O)cc(Br)c(C)c1C1(N)CC1
InChIInChI=1S/C11H14BrNO2/c1-6-7(12)5-8(14)10(15-2)9(6)11(13)3-4-11/h5,14H,3-4,13H2,1-2H3
InChIKeyJYUZCHLDAAOZRC-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.42
Rot. Bonds2

About 3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol

3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol (PubChem CID 117432726) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol.

Molecular Properties

Compound Name3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol
PubChem CID117432726
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol
SMILESCOc1c(O)cc(Br)c(C)c1C1(N)CC1
InChIInChI=1S/C11H14BrNO2/c1-6-7(12)5-8(14)10(15-2)9(6)11(13)3-4-11/h5,14H,3-4,13H2,1-2H3
InChIKeyJYUZCHLDAAOZRC-UHFFFAOYSA-N
XLogP2.42
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol
CID 117499856
5-bromo-3-(1-isocyanatocyclopropyl)-2-methoxy-4-methylphenol
CID 117479756
5-bromo-2,3-dimethoxy-4-methylphenol
CID 84705997
2-(1-aminocyclobutyl)-4-bromo-6-methoxy-3-methylphenol
CID 117461200
1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclopropan-1-amine
CID 117316555
1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine
CID 84805227
1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropan-1-amine
CID 117112420
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine
CID 117491804
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84790711
3-(1-aminoethyl)-5-bromo-2-methoxy-4-methylphenol
CID 117403931

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol?
The IUPAC name of 3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol (CID 117432726) is 3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol.
What is the SMILES notation for 3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol?
The canonical SMILES for 3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol is COc1c(O)cc(Br)c(C)c1C1(N)CC1.
What is the InChIKey of 3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol?
The InChIKey is JYUZCHLDAAOZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-6-7(12)5-8(14)10(15-2)9(6)11(13)3-4-11/h5,14H,3-4,13H2,1-2H3.
What are the key properties of 3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol?
3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol has a molecular weight of 272.14 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol is sourced from PubChem (CID 117432726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).