2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol

C11H14BrNO — CID 117393309

IUPAC2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol
SMILESCc1cc(O)c(CC2(N)CC2)cc1Br
InChIInChI=1S/C11H14BrNO/c1-7-4-10(14)8(5-9(7)12)6-11(13)2-3-11/h4-5,14H,2-3,6,13H2,1H3
InChIKeyJNPXARKNZGEKCI-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.50
Rot. Bonds2

About 2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol

2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol (PubChem CID 117393309) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol.

Molecular Properties

Compound Name2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol
PubChem CID117393309
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol
SMILESCc1cc(O)c(CC2(N)CC2)cc1Br
InChIInChI=1S/C11H14BrNO/c1-7-4-10(14)8(5-9(7)12)6-11(13)2-3-11/h4-5,14H,2-3,6,13H2,1H3
InChIKeyJNPXARKNZGEKCI-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

2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol
CID 117302399
5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol
CID 117285265
2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol
CID 117393315
4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol
CID 117428354
1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117398401
4-bromo-5-methyl-2-prop-2-enylphenol
CID 142719301
1-[(3-bromo-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117352424
1-[(4-bromo-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117352428
3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol
CID 117304411
2-[(1-aminocyclopropyl)methyl]benzene-1,4-diol
CID 117278051
2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide
CID 178200410
1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117483351

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol?
The IUPAC name of 2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol (CID 117393309) is 2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol.
What is the SMILES notation for 2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol?
The canonical SMILES for 2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol is Cc1cc(O)c(CC2(N)CC2)cc1Br.
What is the InChIKey of 2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol?
The InChIKey is JNPXARKNZGEKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-7-4-10(14)8(5-9(7)12)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-5-methylphenol?
2-[(1-aminocyclopropyl)methyl]-4-bromo-5-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-5-methylphenol is sourced from PubChem (CID 117393309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).