1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol

C11H14BrNO — CID 117393248

IUPAC1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol
SMILESCN(C)c1ccc(C2(O)CC2)cc1Br
InChIInChI=1S/C11H14BrNO/c1-13(2)10-4-3-8(7-9(10)12)11(14)5-6-11/h3-4,7,14H,5-6H2,1-2H3
InChIKeyDZBOSNJXONYKNP-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.50
Rot. Bonds2

About 1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol

1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol (PubChem CID 117393248) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol
PubChem CID117393248
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol
SMILESCN(C)c1ccc(C2(O)CC2)cc1Br
InChIInChI=1S/C11H14BrNO/c1-13(2)10-4-3-8(7-9(10)12)11(14)5-6-11/h3-4,7,14H,5-6H2,1-2H3
InChIKeyDZBOSNJXONYKNP-UHFFFAOYSA-N
XLogP2.50
TPSA23.47 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol (CID 117393248) is 1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol is CN(C)c1ccc(C2(O)CC2)cc1Br.
What is the InChIKey of 1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol?
The InChIKey is DZBOSNJXONYKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-13(2)10-4-3-8(7-9(10)12)11(14)5-6-11/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol?
1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol has a molecular weight of 256.14 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117393248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).