2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol

C11H14BrNO — CID 117393315

IUPAC2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol
SMILESCc1cc(Br)cc(CC2(N)CC2)c1O
InChIInChI=1S/C11H14BrNO/c1-7-4-9(12)5-8(10(7)14)6-11(13)2-3-11/h4-5,14H,2-3,6,13H2,1H3
InChIKeyHUOFGJOGRHQJRW-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.50
Rot. Bonds2

About 2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol

2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol (PubChem CID 117393315) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol.

Molecular Properties

Compound Name2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol
PubChem CID117393315
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol
SMILESCc1cc(Br)cc(CC2(N)CC2)c1O
InChIInChI=1S/C11H14BrNO/c1-7-4-9(12)5-8(10(7)14)6-11(13)2-3-11/h4-5,14H,2-3,6,13H2,1H3
InChIKeyHUOFGJOGRHQJRW-UHFFFAOYSA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117398401
2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol
CID 117393309
4-bromo-2-(ethylaminomethyl)-6-methylphenol
CID 112553820
2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde
CID 83893529
3-[(1-aminocyclopropyl)methyl]-1-bromo-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117477347
2-[(5-bromo-2-hydroxy-3-methylphenyl)methylamino]propane-1,3-diol
CID 115907842
2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol
CID 117393343
4-bromo-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylphenol
CID 112553312
2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol
CID 105463029
3-[(1-aminocyclopropyl)methyl]-6-bromobenzene-1,2-diol
CID 117398380
5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol
CID 117285265
1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine
CID 117446809

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol?
The IUPAC name of 2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol (CID 117393315) is 2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol.
What is the SMILES notation for 2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol?
The canonical SMILES for 2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol is Cc1cc(Br)cc(CC2(N)CC2)c1O.
What is the InChIKey of 2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol?
The InChIKey is HUOFGJOGRHQJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-7-4-9(12)5-8(10(7)14)6-11(13)2-3-11/h4-5,14H,2-3,6,13H2,1H3.
What are the key properties of 2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol?
2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol has a molecular weight of 256.14 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol is sourced from PubChem (CID 117393315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).