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

C10H12BrNO — CID 84801516

IUPAC2-(1-aminocyclopropyl)-3-bromo-4-methylphenol
SMILESCc1ccc(O)c(C2(N)CC2)c1Br
InChIInChI=1S/C10H12BrNO/c1-6-2-3-7(13)8(9(6)11)10(12)4-5-10/h2-3,13H,4-5,12H2,1H3
InChIKeySUCWZFLPRCQHJN-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.41
Rot. Bonds1

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

2-(1-aminocyclopropyl)-3-bromo-4-methylphenol (PubChem CID 84801516) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-3-bromo-4-methylphenol.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-3-bromo-4-methylphenol
PubChem CID84801516
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-(1-aminocyclopropyl)-3-bromo-4-methylphenol
SMILESCc1ccc(O)c(C2(N)CC2)c1Br
InChIInChI=1S/C10H12BrNO/c1-6-2-3-7(13)8(9(6)11)10(12)4-5-10/h2-3,13H,4-5,12H2,1H3
InChIKeySUCWZFLPRCQHJN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminocyclopropyl)-2-bromo-3-methylphenol
CID 84801509
1-(2-bromo-6-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117461280
1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84800343
2-(1-aminocyclopropyl)-3,4-difluorophenol
CID 84769570
1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine
CID 84805227
2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol
CID 84810334
2-(1-aminocyclopropyl)-6-tert-butyl-3-methylphenol
CID 117313082
3-bromo-2-fluoro-4-methylphenol
CID 125116434
1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine
CID 117423884
2-(aminomethyl)-3-bromo-4-methylphenol
CID 84784553
1-(2-bromo-3-methoxy-6-methylphenyl)cyclopentan-1-amine
CID 117457058
4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol
CID 84771858

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-3-bromo-4-methylphenol?
The IUPAC name of 2-(1-aminocyclopropyl)-3-bromo-4-methylphenol (CID 84801516) is 2-(1-aminocyclopropyl)-3-bromo-4-methylphenol.
What is the SMILES notation for 2-(1-aminocyclopropyl)-3-bromo-4-methylphenol?
The canonical SMILES for 2-(1-aminocyclopropyl)-3-bromo-4-methylphenol is Cc1ccc(O)c(C2(N)CC2)c1Br.
What is the InChIKey of 2-(1-aminocyclopropyl)-3-bromo-4-methylphenol?
The InChIKey is SUCWZFLPRCQHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-6-2-3-7(13)8(9(6)11)10(12)4-5-10/h2-3,13H,4-5,12H2,1H3.
What are the key properties of 2-(1-aminocyclopropyl)-3-bromo-4-methylphenol?
2-(1-aminocyclopropyl)-3-bromo-4-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 2-(1-aminocyclopropyl)-3-bromo-4-methylphenol is sourced from PubChem (CID 84801516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).