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

C10H12BrNO — CID 84801509

IUPAC4-(1-aminocyclopropyl)-2-bromo-3-methylphenol
SMILESCc1c(C2(N)CC2)ccc(O)c1Br
InChIInChI=1S/C10H12BrNO/c1-6-7(10(12)4-5-10)2-3-8(13)9(6)11/h2-3,13H,4-5,12H2,1H3
InChIKeyDBJZXXSHSJAASL-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.41
Rot. Bonds1

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

4-(1-aminocyclopropyl)-2-bromo-3-methylphenol (PubChem CID 84801509) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-2-bromo-3-methylphenol.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-2-bromo-3-methylphenol
PubChem CID84801509
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name4-(1-aminocyclopropyl)-2-bromo-3-methylphenol
SMILESCc1c(C2(N)CC2)ccc(O)c1Br
InChIInChI=1S/C10H12BrNO/c1-6-7(10(12)4-5-10)2-3-8(13)9(6)11/h2-3,13H,4-5,12H2,1H3
InChIKeyDBJZXXSHSJAASL-UHFFFAOYSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-2-bromo-3-methylphenol?
The IUPAC name of 4-(1-aminocyclopropyl)-2-bromo-3-methylphenol (CID 84801509) is 4-(1-aminocyclopropyl)-2-bromo-3-methylphenol.
What is the SMILES notation for 4-(1-aminocyclopropyl)-2-bromo-3-methylphenol?
The canonical SMILES for 4-(1-aminocyclopropyl)-2-bromo-3-methylphenol is Cc1c(C2(N)CC2)ccc(O)c1Br.
What is the InChIKey of 4-(1-aminocyclopropyl)-2-bromo-3-methylphenol?
The InChIKey is DBJZXXSHSJAASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-6-7(10(12)4-5-10)2-3-8(13)9(6)11/h2-3,13H,4-5,12H2,1H3.
What are the key properties of 4-(1-aminocyclopropyl)-2-bromo-3-methylphenol?
4-(1-aminocyclopropyl)-2-bromo-3-methylphenol has a molecular weight of 242.12 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-2-bromo-3-methylphenol is sourced from PubChem (CID 84801509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).