4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol

C12H16BrNO — CID 117428354

IUPAC4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol
SMILESCc1cc(O)c(Br)c(C)c1CC1(N)CC1
InChIInChI=1S/C12H16BrNO/c1-7-5-10(15)11(13)8(2)9(7)6-12(14)3-4-12/h5,15H,3-4,6,14H2,1-2H3
InChIKeyBZQKZRRWONDCIQ-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.81
Rot. Bonds2

About 4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol

4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol (PubChem CID 117428354) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol.

Molecular Properties

Compound Name4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol
PubChem CID117428354
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol
SMILESCc1cc(O)c(Br)c(C)c1CC1(N)CC1
InChIInChI=1S/C12H16BrNO/c1-7-5-10(15)11(13)8(2)9(7)6-12(14)3-4-12/h5,15H,3-4,6,14H2,1-2H3
InChIKeyBZQKZRRWONDCIQ-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol
CID 117393309
2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol
CID 117393343
2-bromo-4-(1-hydroxycyclopropyl)-3,5-dimethylphenol
CID 117395622
2-amino-3-(3-bromo-4-hydroxy-2,6-dimethylphenyl)propanoic acid
CID 117464878
1-[(4-bromo-6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117456902
4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol
CID 117296210
1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine
CID 117343091
2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol
CID 117302399
2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol
CID 117393315
2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol
CID 117302400
1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine
CID 55185820
1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine
CID 80603495

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol?
The IUPAC name of 4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol (CID 117428354) is 4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol.
What is the SMILES notation for 4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol?
The canonical SMILES for 4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol is Cc1cc(O)c(Br)c(C)c1CC1(N)CC1.
What is the InChIKey of 4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol?
The InChIKey is BZQKZRRWONDCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-7-5-10(15)11(13)8(2)9(7)6-12(14)3-4-12/h5,15H,3-4,6,14H2,1-2H3.
What are the key properties of 4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol?
4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol has a molecular weight of 270.17 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol is sourced from PubChem (CID 117428354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).